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-29aaec54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-29aaec54/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-29aaec54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-29aaec54/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-29aaec54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-29aaec54/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-29aaec54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-29aaec54/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-29aaec54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-29aaec54/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-29aaec54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-29aaec54/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-29aaec54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-29aaec54/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-29aaec54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-29aaec54/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-29aaec54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-29aaec54/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-29aaec54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-29aaec54/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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -35.143046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.143046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.143046 (E_RNA) where: Base-Base interactions energy: -6.951 where: short stacking energy: -6.951 Base-Backbone interact. energy: -0.047 local terms energy: -28.145530 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -3.913 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: 2, replica: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -35.234906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.234906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.234906 (E_RNA) where: Base-Base interactions energy: -11.114 where: short stacking energy: -10.596 Base-Backbone interact. energy: -0.121 local terms energy: -23.999395 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -5.158 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: 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: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -37.344140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.344140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.344140 (E_RNA) where: Base-Base interactions energy: -10.396 where: short stacking energy: -10.257 Base-Backbone interact. energy: -0.881 local terms energy: -26.066632 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -4.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -42.067948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.067948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.067948 (E_RNA) where: Base-Base interactions energy: -15.166 where: short stacking energy: -15.166 Base-Backbone interact. energy: -0.002 local terms energy: -26.900018 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -5.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -37.347024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.347024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.347024 (E_RNA) where: Base-Base interactions energy: -9.444 where: short stacking energy: -9.444 Base-Backbone interact. energy: -0.000 local terms energy: -27.902880 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -4.845 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: 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: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -40.958572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.958572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.958572 (E_RNA) where: Base-Base interactions energy: -14.750 where: short stacking energy: -14.219 Base-Backbone interact. energy: -0.057 local terms energy: -26.151334 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -5.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -33.998871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.998871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.998871 (E_RNA) where: Base-Base interactions energy: -9.590 where: short stacking energy: -8.611 Base-Backbone interact. energy: -0.076 local terms energy: -24.332839 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -3.442 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -30.631696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.631696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.631696 (E_RNA) where: Base-Base interactions energy: -10.985 where: short stacking energy: -10.985 Base-Backbone interact. energy: -0.097 local terms energy: -19.550359 where: bonds (distance) C4'-P energy: -3.976 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -3.885 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: 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: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -43.071217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.071217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.071217 (E_RNA) where: Base-Base interactions energy: -14.488 where: short stacking energy: -14.488 Base-Backbone interact. energy: -0.001 local terms energy: -28.582062 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -37.288568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.288568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.288568 (E_RNA) where: Base-Base interactions energy: -11.683 where: short stacking energy: -11.683 Base-Backbone interact. energy: -0.003 local terms energy: -25.602170 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -34.286145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.286145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.286145 (E_RNA) where: Base-Base interactions energy: -7.252 where: short stacking energy: -7.252 Base-Backbone interact. energy: -0.000 local terms energy: -27.034107 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -4.685 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: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -34.231642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.231642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.231642 (E_RNA) where: Base-Base interactions energy: -8.623 where: short stacking energy: -8.623 Base-Backbone interact. energy: -0.000 local terms energy: -25.608188 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -3.965 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: 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: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -30.799638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.799638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.799638 (E_RNA) where: Base-Base interactions energy: -6.231 where: short stacking energy: -7.001 Base-Backbone interact. energy: -0.002 local terms energy: -24.566266 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.224 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -3.021 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: 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: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -36.990479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.990479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.990479 (E_RNA) where: Base-Base interactions energy: -10.453 where: short stacking energy: -10.453 Base-Backbone interact. energy: -0.005 local terms energy: -26.532711 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -44.213245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.213245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.213245 (E_RNA) where: Base-Base interactions energy: -15.676 where: short stacking energy: -15.676 Base-Backbone interact. energy: -0.001 local terms energy: -28.535937 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -8.042 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -4.346 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: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -32.157568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.157568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.157568 (E_RNA) where: Base-Base interactions energy: -8.047 where: short stacking energy: -8.047 Base-Backbone interact. energy: -0.046 local terms energy: -24.064712 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -4.961 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -1.628 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: 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: 3 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -32.557131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.557131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.557131 (E_RNA) where: Base-Base interactions energy: -9.695 where: short stacking energy: -9.695 Base-Backbone interact. energy: -0.036 local terms energy: -22.826184 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -4.823 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: 6, replica: 2 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -35.267202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.267202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.267202 (E_RNA) where: Base-Base interactions energy: -10.420 where: short stacking energy: -10.420 Base-Backbone interact. energy: -0.057 local terms energy: -24.790227 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -35.150575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.150575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.150575 (E_RNA) where: Base-Base interactions energy: -8.983 where: short stacking energy: -8.983 Base-Backbone interact. energy: -0.096 local terms energy: -26.071997 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 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: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -29.486037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.486037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.486037 (E_RNA) where: Base-Base interactions energy: -6.654 where: short stacking energy: -6.654 Base-Backbone interact. energy: -0.155 local terms energy: -22.676233 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -3.175 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: 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: 5 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -39.930407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.930407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.930407 (E_RNA) where: Base-Base interactions energy: -12.989 where: short stacking energy: -12.989 Base-Backbone interact. energy: -0.004 local terms energy: -26.938259 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -5.659 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: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -39.832896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.832896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.832896 (E_RNA) where: Base-Base interactions energy: -12.175 where: short stacking energy: -12.175 Base-Backbone interact. energy: -0.058 local terms energy: -27.599535 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -4.916 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: 9 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -37.540438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.540438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.540438 (E_RNA) where: Base-Base interactions energy: -11.553 where: short stacking energy: -11.553 Base-Backbone interact. energy: -0.062 local terms energy: -25.925329 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -32.705398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.705398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.705398 (E_RNA) where: Base-Base interactions energy: -7.785 where: short stacking energy: -7.785 Base-Backbone interact. energy: -0.000 local terms energy: -24.919679 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -5.873 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: 2 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -30.867561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.867561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.867561 (E_RNA) where: Base-Base interactions energy: -8.471 where: short stacking energy: -8.471 Base-Backbone interact. energy: -0.000 local terms energy: -22.395969 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -35.834341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.834341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.834341 (E_RNA) where: Base-Base interactions energy: -11.966 where: short stacking energy: -11.966 Base-Backbone interact. energy: -0.083 local terms energy: -23.785335 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -3.364 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: 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: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -33.571304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.571304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.571304 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -11.368 Base-Backbone interact. energy: -0.109 local terms energy: -22.094703 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -4.855 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -30.864284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.864284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.864284 (E_RNA) where: Base-Base interactions energy: -10.124 where: short stacking energy: -10.124 Base-Backbone interact. energy: -0.006 local terms energy: -20.734620 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -34.745603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.745603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.745603 (E_RNA) where: Base-Base interactions energy: -9.422 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.072 local terms energy: -25.251611 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -4.151 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: 2, replica: 9 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -42.228693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.228693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.228693 (E_RNA) where: Base-Base interactions energy: -13.179 where: short stacking energy: -13.179 Base-Backbone interact. energy: -0.055 local terms energy: -28.994929 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -4.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -32.831078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.831078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.831078 (E_RNA) where: Base-Base interactions energy: -8.002 where: short stacking energy: -8.002 Base-Backbone interact. energy: -0.453 local terms energy: -24.376170 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.398 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: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -35.779889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.779889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.779889 (E_RNA) where: Base-Base interactions energy: -9.645 where: short stacking energy: -9.645 Base-Backbone interact. energy: -0.868 local terms energy: -25.267018 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -29.544409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.544409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.544409 (E_RNA) where: Base-Base interactions energy: -7.534 where: short stacking energy: -7.534 Base-Backbone interact. energy: -0.011 local terms energy: -22.000071 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -4.063 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: 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: 3 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -28.555627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.555627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.555627 (E_RNA) where: Base-Base interactions energy: -8.029 where: short stacking energy: -8.029 Base-Backbone interact. energy: -0.050 local terms energy: -20.476769 where: bonds (distance) C4'-P energy: -6.481 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: 2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -31.628101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.628101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.628101 (E_RNA) where: Base-Base interactions energy: -9.399 where: short stacking energy: -9.399 Base-Backbone interact. energy: -0.003 local terms energy: -22.226366 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -29.492361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.492361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.492361 (E_RNA) where: Base-Base interactions energy: -10.282 where: short stacking energy: -10.282 Base-Backbone interact. energy: -0.000 local terms energy: -19.210717 where: bonds (distance) C4'-P energy: -3.728 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -3.764 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: 1, replica: 9 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -41.293645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.293645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.293645 (E_RNA) where: Base-Base interactions energy: -14.666 where: short stacking energy: -14.957 Base-Backbone interact. energy: -0.069 local terms energy: -26.558600 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -36.747960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.747960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.747960 (E_RNA) where: Base-Base interactions energy: -7.404 where: short stacking energy: -7.404 Base-Backbone interact. energy: -0.079 local terms energy: -29.264563 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -5.539 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: 3, replica: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -32.863200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.863200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.863200 (E_RNA) where: Base-Base interactions energy: -8.161 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.006 local terms energy: -24.696022 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -4.195 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: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -38.146222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.146222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.146222 (E_RNA) where: Base-Base interactions energy: -11.311 where: short stacking energy: -11.311 Base-Backbone interact. energy: -0.000 local terms energy: -26.834796 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 1 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -35.514680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.514680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.514680 (E_RNA) where: Base-Base interactions energy: -8.192 where: short stacking energy: -8.192 Base-Backbone interact. energy: -0.004 local terms energy: -27.318836 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.517 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: 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: 3 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -30.882060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.882060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.882060 (E_RNA) where: Base-Base interactions energy: -8.147 where: short stacking energy: -8.147 Base-Backbone interact. energy: -0.008 local terms energy: -22.727029 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -4.063 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: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -30.699071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.699071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.699071 (E_RNA) where: Base-Base interactions energy: -6.222 where: short stacking energy: -6.222 Base-Backbone interact. energy: -0.140 local terms energy: -24.336730 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -3.463 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: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -29.818976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.818976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.818976 (E_RNA) where: Base-Base interactions energy: -5.152 where: short stacking energy: -3.849 Base-Backbone interact. energy: -0.003 local terms energy: -24.664063 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -0.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -39.377153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.377153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.377153 (E_RNA) where: Base-Base interactions energy: -11.438 where: short stacking energy: -11.531 Base-Backbone interact. energy: -0.045 local terms energy: -27.894291 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -6.280 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: 2, replica: 5 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -38.061487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.061487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.061487 (E_RNA) where: Base-Base interactions energy: -14.105 where: short stacking energy: -14.105 Base-Backbone interact. energy: -0.001 local terms energy: -23.955641 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.163 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: -4.301 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: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -40.002714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.002714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.002714 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.000 local terms energy: -27.893596 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -2.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -35.464719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.464719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.464719 (E_RNA) where: Base-Base interactions energy: -12.685 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.038 local terms energy: -22.741987 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: 0.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 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: 1 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -28.715127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.715127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.715127 (E_RNA) where: Base-Base interactions energy: -5.047 where: short stacking energy: -5.047 Base-Backbone interact. energy: -0.003 local terms energy: -23.665328 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.571 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: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -30.087051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.087051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.087051 (E_RNA) where: Base-Base interactions energy: -6.920 where: short stacking energy: -6.920 Base-Backbone interact. energy: -0.004 local terms energy: -23.162484 where: bonds (distance) C4'-P energy: -3.401 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -4.593 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: 9, replica: 3 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -35.528933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.528933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.528933 (E_RNA) where: Base-Base interactions energy: -11.418 where: short stacking energy: -10.452 Base-Backbone interact. energy: -0.023 local terms energy: -24.088162 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -3.875 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -32.742485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.742485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.742485 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -11.196 Base-Backbone interact. energy: -0.041 local terms energy: -21.958932 where: bonds (distance) C4'-P energy: -4.188 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -39.780549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.780549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.780549 (E_RNA) where: Base-Base interactions energy: -11.140 where: short stacking energy: -11.140 Base-Backbone interact. energy: -0.000 local terms energy: -28.640539 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -35.916120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.916120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.916120 (E_RNA) where: Base-Base interactions energy: -12.159 where: short stacking energy: -12.159 Base-Backbone interact. energy: -0.001 local terms energy: -23.755369 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -34.087678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.087678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.087678 (E_RNA) where: Base-Base interactions energy: -8.195 where: short stacking energy: -8.195 Base-Backbone interact. energy: -0.000 local terms energy: -25.892585 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -3.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -37.516431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.516431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.516431 (E_RNA) where: Base-Base interactions energy: -11.351 where: short stacking energy: -11.351 Base-Backbone interact. energy: -0.154 local terms energy: -26.011482 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -4.532 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: 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: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -32.671855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.671855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.671855 (E_RNA) where: Base-Base interactions energy: -9.175 where: short stacking energy: -9.175 Base-Backbone interact. energy: -0.017 local terms energy: -23.480373 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -30.481028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.481028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.481028 (E_RNA) where: Base-Base interactions energy: -7.130 where: short stacking energy: -7.130 Base-Backbone interact. energy: -0.010 local terms energy: -23.340628 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -29.244300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.244300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.244300 (E_RNA) where: Base-Base interactions energy: -7.251 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.015 local terms energy: -21.977985 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -2.952 tors. eta vs tors. theta energy: 1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -28.333028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.333028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.333028 (E_RNA) where: Base-Base interactions energy: -6.886 where: short stacking energy: -6.886 Base-Backbone interact. energy: -0.036 local terms energy: -21.411942 where: bonds (distance) C4'-P energy: -6.005 bonds (distance) P-C4' energy: -6.050 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -1.582 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: 10, replica: 3 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -32.075335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.075335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.075335 (E_RNA) where: Base-Base interactions energy: -10.155 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.023 local terms energy: -21.898008 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -4.762 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -41.660956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.660956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.660956 (E_RNA) where: Base-Base interactions energy: -10.764 where: short stacking energy: -10.764 Base-Backbone interact. energy: -0.000 local terms energy: -30.896514 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -35.618472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.618472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.618472 (E_RNA) where: Base-Base interactions energy: -12.597 where: short stacking energy: -12.597 Base-Backbone interact. energy: -0.000 local terms energy: -23.021264 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -4.564 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: 3, replica: 9 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -36.102581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.102581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.102581 (E_RNA) where: Base-Base interactions energy: -9.565 where: short stacking energy: -9.565 Base-Backbone interact. energy: -0.019 local terms energy: -26.519039 where: bonds (distance) C4'-P energy: -4.067 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -4.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 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: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -35.564434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.564434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.564434 (E_RNA) where: Base-Base interactions energy: -13.957 where: short stacking energy: -13.957 Base-Backbone interact. energy: -0.146 local terms energy: -21.461284 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -4.711 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: 6, replica: 7 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -28.689264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.689264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.689264 (E_RNA) where: Base-Base interactions energy: -6.668 where: short stacking energy: -6.668 Base-Backbone interact. energy: -0.067 local terms energy: -21.954479 where: bonds (distance) C4'-P energy: -3.534 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -35.901853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.901853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.901853 (E_RNA) where: Base-Base interactions energy: -13.573 where: short stacking energy: -13.573 Base-Backbone interact. energy: -0.040 local terms energy: -22.289181 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -32.824347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.824347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.824347 (E_RNA) where: Base-Base interactions energy: -5.923 where: short stacking energy: -5.923 Base-Backbone interact. energy: -0.000 local terms energy: -26.901457 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -4.140 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: 1 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -31.126735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.126735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.126735 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.116 local terms energy: -23.586241 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.390 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: 10, replica: 3 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -28.223259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.223259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.223259 (E_RNA) where: Base-Base interactions energy: -3.318 where: short stacking energy: -3.518 Base-Backbone interact. energy: -0.265 local terms energy: -24.640722 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -3.813 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: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -39.672536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.672536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.672536 (E_RNA) where: Base-Base interactions energy: -13.715 where: short stacking energy: -13.715 Base-Backbone interact. energy: -0.323 local terms energy: -25.633952 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.882 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -3.084 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: 2, replica: 5 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -36.591969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.591969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.591969 (E_RNA) where: Base-Base interactions energy: -11.683 where: short stacking energy: -11.683 Base-Backbone interact. energy: -0.038 local terms energy: -24.870873 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -35.874160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.874160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.874160 (E_RNA) where: Base-Base interactions energy: -11.050 where: short stacking energy: -11.050 Base-Backbone interact. energy: -0.000 local terms energy: -24.823924 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -3.467 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: 5, replica: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -32.526917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.526917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.526917 (E_RNA) where: Base-Base interactions energy: -7.192 where: short stacking energy: -7.192 Base-Backbone interact. energy: -0.007 local terms energy: -25.328702 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -1.723 flat angles P-C4'-P energy: -5.756 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: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -31.099399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.099399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.099399 (E_RNA) where: Base-Base interactions energy: -6.438 where: short stacking energy: -6.438 Base-Backbone interact. energy: -0.002 local terms energy: -24.659404 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -31.251305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.251305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.251305 (E_RNA) where: Base-Base interactions energy: -8.068 where: short stacking energy: -8.068 Base-Backbone interact. energy: -0.018 local terms energy: -23.165434 where: bonds (distance) C4'-P energy: -5.397 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -4.565 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: 8, replica: 2 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -30.192521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.192521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.192521 (E_RNA) where: Base-Base interactions energy: -6.350 where: short stacking energy: -6.350 Base-Backbone interact. energy: -0.001 local terms energy: -23.842106 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -1.616 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -31.391696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.391696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.391696 (E_RNA) where: Base-Base interactions energy: -9.933 where: short stacking energy: -9.933 Base-Backbone interact. energy: -0.105 local terms energy: -21.353273 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: 0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -29.221860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.221860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.221860 (E_RNA) where: Base-Base interactions energy: -6.571 where: short stacking energy: -6.571 Base-Backbone interact. energy: -0.000 local terms energy: -22.650924 where: bonds (distance) C4'-P energy: -2.635 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -1.942 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -43.109986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.109986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.109986 (E_RNA) where: Base-Base interactions energy: -15.635 where: short stacking energy: -15.635 Base-Backbone interact. energy: -0.051 local terms energy: -27.424026 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.513 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: 5 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -41.666466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.666466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.666466 (E_RNA) where: Base-Base interactions energy: -10.694 where: short stacking energy: -10.694 Base-Backbone interact. energy: -0.000 local terms energy: -30.972257 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -5.556 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: 8 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -39.140937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.140937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.140937 (E_RNA) where: Base-Base interactions energy: -11.425 where: short stacking energy: -11.425 Base-Backbone interact. energy: -0.000 local terms energy: -27.715881 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -33.194700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.194700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.194700 (E_RNA) where: Base-Base interactions energy: -9.592 where: short stacking energy: -9.592 Base-Backbone interact. energy: -0.002 local terms energy: -23.601030 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -3.407 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: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -34.382189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.382189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.382189 (E_RNA) where: Base-Base interactions energy: -6.833 where: short stacking energy: -5.021 Base-Backbone interact. energy: -0.002 local terms energy: -27.547288 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -5.690 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: 6, replica: 10 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -32.582285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.582285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.582285 (E_RNA) where: Base-Base interactions energy: -9.232 where: short stacking energy: -8.833 Base-Backbone interact. energy: -0.080 local terms energy: -23.270895 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.605 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: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -30.325816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.325816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.325816 (E_RNA) where: Base-Base interactions energy: -6.967 where: short stacking energy: -6.967 Base-Backbone interact. energy: -0.063 local terms energy: -23.295713 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -5.043 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: 8, replica: 1 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -26.250872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.250872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.250872 (E_RNA) where: Base-Base interactions energy: -3.728 where: short stacking energy: -3.844 Base-Backbone interact. energy: -0.246 local terms energy: -22.276282 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: 0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -28.329290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.329290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.329290 (E_RNA) where: Base-Base interactions energy: -5.699 where: short stacking energy: -3.604 Base-Backbone interact. energy: -0.042 local terms energy: -22.587548 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -26.862285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.862285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.862285 (E_RNA) where: Base-Base interactions energy: -1.378 where: short stacking energy: -1.378 Base-Backbone interact. energy: -0.108 local terms energy: -25.376162 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -5.505 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: 1, replica: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -36.308628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.308628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.308628 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -12.337 Base-Backbone interact. energy: -0.115 local terms energy: -22.185542 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -35.200144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.200144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.200144 (E_RNA) where: Base-Base interactions energy: -6.990 where: short stacking energy: -6.990 Base-Backbone interact. energy: -0.215 local terms energy: -27.995592 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -4.910 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: 3, replica: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -37.213222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.213222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.213222 (E_RNA) where: Base-Base interactions energy: -10.783 where: short stacking energy: -10.783 Base-Backbone interact. energy: -0.000 local terms energy: -26.430353 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -3.615 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: 4, replica: 8 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -36.422010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.422010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.422010 (E_RNA) where: Base-Base interactions energy: -10.893 where: short stacking energy: -10.893 Base-Backbone interact. energy: -0.000 local terms energy: -25.529412 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -31.951680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.951680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.951680 (E_RNA) where: Base-Base interactions energy: -10.631 where: short stacking energy: -7.237 Base-Backbone interact. energy: -0.060 local terms energy: -21.261140 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: 0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -29.737197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.737197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.737197 (E_RNA) where: Base-Base interactions energy: -9.574 where: short stacking energy: -9.574 Base-Backbone interact. energy: -0.045 local terms energy: -20.119054 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: 2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -30.537486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.537486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.537486 (E_RNA) where: Base-Base interactions energy: -6.774 where: short stacking energy: -6.774 Base-Backbone interact. energy: -0.009 local terms energy: -23.754386 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -1.600 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: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -29.951377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.951377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.951377 (E_RNA) where: Base-Base interactions energy: -7.935 where: short stacking energy: -7.647 Base-Backbone interact. energy: -0.080 local terms energy: -21.935875 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -3.114 tors. eta vs tors. theta energy: -0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -30.910147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.910147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.910147 (E_RNA) where: Base-Base interactions energy: -8.729 where: short stacking energy: -8.729 Base-Backbone interact. energy: -0.014 local terms energy: -22.166908 where: bonds (distance) C4'-P energy: -5.023 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -29.791151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.791151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.791151 (E_RNA) where: Base-Base interactions energy: -5.430 where: short stacking energy: -5.430 Base-Backbone interact. energy: -0.012 local terms energy: -24.348598 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -42.467612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.467612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.467612 (E_RNA) where: Base-Base interactions energy: -14.072 where: short stacking energy: -14.072 Base-Backbone interact. energy: -0.000 local terms energy: -28.395345 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -4.945 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: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -36.708639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.708639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.708639 (E_RNA) where: Base-Base interactions energy: -9.892 where: short stacking energy: -10.792 Base-Backbone interact. energy: -0.001 local terms energy: -26.815837 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.362 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: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -34.484233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.484233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.484233 (E_RNA) where: Base-Base interactions energy: -10.598 where: short stacking energy: -10.598 Base-Backbone interact. energy: -0.094 local terms energy: -23.792161 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -3.360 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: 4, replica: 10 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -37.524798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.524798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.524798 (E_RNA) where: Base-Base interactions energy: -11.774 where: short stacking energy: -11.774 Base-Backbone interact. energy: -0.001 local terms energy: -25.750104 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -33.367558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.367558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.367558 (E_RNA) where: Base-Base interactions energy: -11.021 where: short stacking energy: -11.021 Base-Backbone interact. energy: -0.057 local terms energy: -22.289517 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -3.478 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: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -28.122766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.122766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.122766 (E_RNA) where: Base-Base interactions energy: -6.361 where: short stacking energy: -4.188 Base-Backbone interact. energy: -0.205 local terms energy: -21.556685 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -4.451 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: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -30.017573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.017573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.017573 (E_RNA) where: Base-Base interactions energy: -6.101 where: short stacking energy: -6.101 Base-Backbone interact. energy: -0.094 local terms energy: -23.823238 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -29.310653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.310653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.310653 (E_RNA) where: Base-Base interactions energy: -5.808 where: short stacking energy: -5.808 Base-Backbone interact. energy: -0.221 local terms energy: -23.281298 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -3.897 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: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -28.599539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.599539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.599539 (E_RNA) where: Base-Base interactions energy: -6.501 where: short stacking energy: -4.415 Base-Backbone interact. energy: -0.111 local terms energy: -21.987130 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: 3.116 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: 2 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -28.927157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.927157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.927157 (E_RNA) where: Base-Base interactions energy: -4.868 where: short stacking energy: -4.868 Base-Backbone interact. energy: -0.190 local terms energy: -23.869016 where: bonds (distance) C4'-P energy: -5.023 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: 0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -42.423564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.423564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.423564 (E_RNA) where: Base-Base interactions energy: -14.304 where: short stacking energy: -14.304 Base-Backbone interact. energy: -0.002 local terms energy: -28.117355 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -4.656 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: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -36.046577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.046577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.046577 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.013 local terms energy: -25.220855 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -1.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -35.219876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.219876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.219876 (E_RNA) where: Base-Base interactions energy: -8.705 where: short stacking energy: -8.705 Base-Backbone interact. energy: -0.110 local terms energy: -26.405293 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -1.489 tors. eta vs tors. theta energy: -3.186 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: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -35.659329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.659329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.659329 (E_RNA) where: Base-Base interactions energy: -7.373 where: short stacking energy: -7.373 Base-Backbone interact. energy: -0.009 local terms energy: -28.277564 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -31.506651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.506651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.506651 (E_RNA) where: Base-Base interactions energy: -6.111 where: short stacking energy: -6.111 Base-Backbone interact. energy: -0.001 local terms energy: -25.395090 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -4.825 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: 6, replica: 8 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -28.433342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.433342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.433342 (E_RNA) where: Base-Base interactions energy: -4.288 where: short stacking energy: -4.288 Base-Backbone interact. energy: -0.012 local terms energy: -24.132851 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -5.234 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: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -31.634691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.634691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.634691 (E_RNA) where: Base-Base interactions energy: -11.358 where: short stacking energy: -11.358 Base-Backbone interact. energy: -0.003 local terms energy: -20.273208 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -3.592 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -2.531 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: 8, replica: 3 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -32.743462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.743462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.743462 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.000 local terms energy: -25.483354 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -33.767214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.767214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.767214 (E_RNA) where: Base-Base interactions energy: -10.653 where: short stacking energy: -10.653 Base-Backbone interact. energy: -0.000 local terms energy: -23.113947 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -3.196 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: 6 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -26.642378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.642378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.642378 (E_RNA) where: Base-Base interactions energy: -2.958 where: short stacking energy: -2.958 Base-Backbone interact. energy: -0.013 local terms energy: -23.671121 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: 0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -38.230088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.230088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.230088 (E_RNA) where: Base-Base interactions energy: -11.789 where: short stacking energy: -11.789 Base-Backbone interact. energy: 0.004 local terms energy: -26.445634 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -33.954301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.954301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.954301 (E_RNA) where: Base-Base interactions energy: -11.907 where: short stacking energy: -6.881 Base-Backbone interact. energy: -0.022 local terms energy: -22.025778 where: bonds (distance) C4'-P energy: -3.798 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -5.044 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: 3, replica: 7 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -32.350678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.350678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.350678 (E_RNA) where: Base-Base interactions energy: -8.183 where: short stacking energy: -8.183 Base-Backbone interact. energy: -0.003 local terms energy: -24.164896 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -3.744 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: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -36.016593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.016593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.016593 (E_RNA) where: Base-Base interactions energy: -9.905 where: short stacking energy: -9.905 Base-Backbone interact. energy: 0.028 local terms energy: -26.139688 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -5.208 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: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -33.066584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.066584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.066584 (E_RNA) where: Base-Base interactions energy: -10.659 where: short stacking energy: -10.659 Base-Backbone interact. energy: -0.007 local terms energy: -22.399895 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -3.492 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: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -33.337442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.337442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.337442 (E_RNA) where: Base-Base interactions energy: -10.176 where: short stacking energy: -10.176 Base-Backbone interact. energy: -0.057 local terms energy: -23.104163 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -6.310 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: 7, replica: 8 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -31.324073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.324073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.324073 (E_RNA) where: Base-Base interactions energy: -7.457 where: short stacking energy: -7.457 Base-Backbone interact. energy: -0.030 local terms energy: -23.837109 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -0.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -33.089674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.089674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.089674 (E_RNA) where: Base-Base interactions energy: -7.927 where: short stacking energy: -7.927 Base-Backbone interact. energy: -0.002 local terms energy: -25.159776 where: bonds (distance) C4'-P energy: -3.790 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -3.720 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: 9, replica: 2 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -30.924858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.924858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.924858 (E_RNA) where: Base-Base interactions energy: -7.834 where: short stacking energy: -7.834 Base-Backbone interact. energy: -0.000 local terms energy: -23.091116 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -2.633 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: 6 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -29.378284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.378284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.378284 (E_RNA) where: Base-Base interactions energy: -7.855 where: short stacking energy: -7.855 Base-Backbone interact. energy: -0.006 local terms energy: -21.517337 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -4.083 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: 1, replica: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -33.086290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.086290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.086290 (E_RNA) where: Base-Base interactions energy: -7.909 where: short stacking energy: -7.909 Base-Backbone interact. energy: -0.001 local terms energy: -25.175457 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -4.693 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: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -37.385859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.385859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.385859 (E_RNA) where: Base-Base interactions energy: -9.424 where: short stacking energy: -9.424 Base-Backbone interact. energy: -0.000 local terms energy: -27.961617 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -1.996 tors. eta vs tors. theta energy: -6.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -39.674391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.674391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.674391 (E_RNA) where: Base-Base interactions energy: -12.854 where: short stacking energy: -12.854 Base-Backbone interact. energy: -0.000 local terms energy: -26.820386 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -5.161 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: 4, replica: 7 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -33.296387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.296387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.296387 (E_RNA) where: Base-Base interactions energy: -4.044 where: short stacking energy: -4.044 Base-Backbone interact. energy: -0.000 local terms energy: -29.252680 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -4.904 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: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -34.852081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.852081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.852081 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -6.687 Base-Backbone interact. energy: -0.000 local terms energy: -28.165449 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -5.453 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: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -28.529311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.529311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.529311 (E_RNA) where: Base-Base interactions energy: -1.003 where: short stacking energy: -1.003 Base-Backbone interact. energy: -0.000 local terms energy: -27.526010 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -31.410623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.410623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.410623 (E_RNA) where: Base-Base interactions energy: -8.047 where: short stacking energy: -8.047 Base-Backbone interact. energy: -0.000 local terms energy: -23.363554 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -2.187 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -27.869158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.869158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.869158 (E_RNA) where: Base-Base interactions energy: -6.139 where: short stacking energy: -3.974 Base-Backbone interact. energy: -0.005 local terms energy: -21.725201 where: bonds (distance) C4'-P energy: -3.550 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -29.512958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.512958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.512958 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.167 local terms energy: -17.822609 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -4.498 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -2.567 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: 10, replica: 2 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -27.389999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.389999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.389999 (E_RNA) where: Base-Base interactions energy: -3.309 where: short stacking energy: -3.309 Base-Backbone interact. energy: -0.493 local terms energy: -23.587925 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -3.031 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -38.055176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.055176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.055176 (E_RNA) where: Base-Base interactions energy: -10.781 where: short stacking energy: -10.781 Base-Backbone interact. energy: -0.509 local terms energy: -26.764821 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -2.573 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: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -35.882064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.882064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.882064 (E_RNA) where: Base-Base interactions energy: -12.578 where: short stacking energy: -12.578 Base-Backbone interact. energy: -0.000 local terms energy: -23.304234 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -36.996984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.996984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.996984 (E_RNA) where: Base-Base interactions energy: -9.583 where: short stacking energy: -9.583 Base-Backbone interact. energy: -0.017 local terms energy: -27.397224 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -3.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -31.704874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.704874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.704874 (E_RNA) where: Base-Base interactions energy: -6.114 where: short stacking energy: -6.114 Base-Backbone interact. energy: -0.001 local terms energy: -25.589529 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -1.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -34.715694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.715694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.715694 (E_RNA) where: Base-Base interactions energy: -8.760 where: short stacking energy: -8.760 Base-Backbone interact. energy: -0.014 local terms energy: -25.941999 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -35.865634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.865634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.865634 (E_RNA) where: Base-Base interactions energy: -8.141 where: short stacking energy: -8.141 Base-Backbone interact. energy: -0.000 local terms energy: -27.724735 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -32.031636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.031636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.031636 (E_RNA) where: Base-Base interactions energy: -8.104 where: short stacking energy: -8.104 Base-Backbone interact. energy: -0.010 local terms energy: -23.917452 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -34.112330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.112330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.112330 (E_RNA) where: Base-Base interactions energy: -10.885 where: short stacking energy: -10.885 Base-Backbone interact. energy: -0.000 local terms energy: -23.227433 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -2.940 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -5.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -29.598282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.598282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.598282 (E_RNA) where: Base-Base interactions energy: -7.695 where: short stacking energy: -7.695 Base-Backbone interact. energy: -0.184 local terms energy: -21.719489 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: 0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -28.973395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.973395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.973395 (E_RNA) where: Base-Base interactions energy: -7.080 where: short stacking energy: -6.653 Base-Backbone interact. energy: -0.000 local terms energy: -21.892954 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -44.544851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.544851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.544851 (E_RNA) where: Base-Base interactions energy: -14.608 where: short stacking energy: -14.608 Base-Backbone interact. energy: -0.000 local terms energy: -29.937008 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -5.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -40.849201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.849201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.849201 (E_RNA) where: Base-Base interactions energy: -13.466 where: short stacking energy: -12.627 Base-Backbone interact. energy: -0.769 local terms energy: -26.613838 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -6.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -37.558146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.558146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.558146 (E_RNA) where: Base-Base interactions energy: -9.709 where: short stacking energy: -8.999 Base-Backbone interact. energy: -0.052 local terms energy: -27.797225 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -5.618 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: 4, replica: 7 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -36.987148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.987148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.987148 (E_RNA) where: Base-Base interactions energy: -10.278 where: short stacking energy: -4.531 Base-Backbone interact. energy: -0.000 local terms energy: -26.708964 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -5.237 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: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -33.628125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.628125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.628125 (E_RNA) where: Base-Base interactions energy: -7.458 where: short stacking energy: -7.458 Base-Backbone interact. energy: -0.096 local terms energy: -26.073402 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.496 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -32.225925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.225925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.225925 (E_RNA) where: Base-Base interactions energy: -5.035 where: short stacking energy: -5.035 Base-Backbone interact. energy: -0.006 local terms energy: -27.185065 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -28.188393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.188393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.188393 (E_RNA) where: Base-Base interactions energy: -6.693 where: short stacking energy: -6.693 Base-Backbone interact. energy: -0.000 local terms energy: -21.494901 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.158 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: 8, replica: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -32.073313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.073313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.073313 (E_RNA) where: Base-Base interactions energy: -7.242 where: short stacking energy: -7.242 Base-Backbone interact. energy: -0.004 local terms energy: -24.827440 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -3.794 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: 9, replica: 2 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -28.309894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.309894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.309894 (E_RNA) where: Base-Base interactions energy: -7.176 where: short stacking energy: -7.176 Base-Backbone interact. energy: -0.043 local terms energy: -21.091515 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -1.593 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: 10, replica: 8 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -30.708748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.708748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.708748 (E_RNA) where: Base-Base interactions energy: -6.487 where: short stacking energy: -6.487 Base-Backbone interact. energy: -0.001 local terms energy: -24.221548 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -5.167 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: 1, replica: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -43.026821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.026821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.026821 (E_RNA) where: Base-Base interactions energy: -14.042 where: short stacking energy: -14.042 Base-Backbone interact. energy: -0.014 local terms energy: -28.971397 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -3.424 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: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -38.936339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.936339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.936339 (E_RNA) where: Base-Base interactions energy: -10.035 where: short stacking energy: -11.363 Base-Backbone interact. energy: -0.116 local terms energy: -28.785795 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -36.723750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.723750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.723750 (E_RNA) where: Base-Base interactions energy: -12.172 where: short stacking energy: -12.172 Base-Backbone interact. energy: -0.710 local terms energy: -23.842189 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -5.146 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: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -37.716488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.716488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.716488 (E_RNA) where: Base-Base interactions energy: -10.777 where: short stacking energy: -8.140 Base-Backbone interact. energy: -0.100 local terms energy: -26.839234 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -3.256 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: 5, replica: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -32.847935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.847935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.847935 (E_RNA) where: Base-Base interactions energy: -5.233 where: short stacking energy: -5.233 Base-Backbone interact. energy: -0.006 local terms energy: -27.608671 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -33.130448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.130448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.130448 (E_RNA) where: Base-Base interactions energy: -7.824 where: short stacking energy: -7.824 Base-Backbone interact. energy: -0.040 local terms energy: -25.266397 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -4.822 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: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -34.533518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.533518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.533518 (E_RNA) where: Base-Base interactions energy: -8.374 where: short stacking energy: -8.374 Base-Backbone interact. energy: -0.101 local terms energy: -26.058607 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -5.710 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: 8, replica: 2 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -32.944750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.944750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.944750 (E_RNA) where: Base-Base interactions energy: -12.706 where: short stacking energy: -12.706 Base-Backbone interact. energy: -0.001 local terms energy: -20.237793 where: bonds (distance) C4'-P energy: -4.961 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -4.132 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: 1 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -35.198825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.198825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.198825 (E_RNA) where: Base-Base interactions energy: -8.935 where: short stacking energy: -6.824 Base-Backbone interact. energy: 0.995 local terms energy: -27.258297 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -5.071 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: 10, replica: 8 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -26.098338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.098338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.098338 (E_RNA) where: Base-Base interactions energy: -4.044 where: short stacking energy: -4.044 Base-Backbone interact. energy: 0.558 local terms energy: -22.612958 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -1.691 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: 24 Temperature: 0.900000 Total energy: -39.587774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.587774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.587774 (E_RNA) where: Base-Base interactions energy: -10.232 where: short stacking energy: -10.232 Base-Backbone interact. energy: -0.000 local terms energy: -29.354882 where: bonds (distance) C4'-P energy: -5.218 bonds (distance) P-C4' energy: -5.586 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -5.829 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: 2, replica: 10 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -40.038989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.038989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.038989 (E_RNA) where: Base-Base interactions energy: -16.258 where: short stacking energy: -16.258 Base-Backbone interact. energy: -0.008 local terms energy: -23.773196 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -0.827 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -40.068286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.068286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.068286 (E_RNA) where: Base-Base interactions energy: -12.574 where: short stacking energy: -12.574 Base-Backbone interact. energy: -0.060 local terms energy: -27.434270 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -33.697289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.697289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.697289 (E_RNA) where: Base-Base interactions energy: -7.252 where: short stacking energy: -7.252 Base-Backbone interact. energy: -0.030 local terms energy: -26.415377 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -5.289 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: 5, replica: 6 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -34.193705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.193705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.193705 (E_RNA) where: Base-Base interactions energy: -9.162 where: short stacking energy: -9.162 Base-Backbone interact. energy: -0.000 local terms energy: -25.031821 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -5.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -28.472943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.472943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.472943 (E_RNA) where: Base-Base interactions energy: -5.009 where: short stacking energy: -4.148 Base-Backbone interact. energy: -0.405 local terms energy: -23.058098 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -3.747 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: 7, replica: 2 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -28.702233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.702233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.702233 (E_RNA) where: Base-Base interactions energy: -6.461 where: short stacking energy: -6.461 Base-Backbone interact. energy: -0.100 local terms energy: -22.141305 where: bonds (distance) C4'-P energy: -3.728 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -4.211 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: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -29.699564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.699564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.699564 (E_RNA) where: Base-Base interactions energy: -4.480 where: short stacking energy: -4.480 Base-Backbone interact. energy: -0.037 local terms energy: -25.182621 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -4.181 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: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -30.935356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.935356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.935356 (E_RNA) where: Base-Base interactions energy: -7.144 where: short stacking energy: -7.144 Base-Backbone interact. energy: -0.102 local terms energy: -23.688987 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -4.660 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: 10, replica: 1 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -26.154615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.154615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.154615 (E_RNA) where: Base-Base interactions energy: -8.340 where: short stacking energy: -8.340 Base-Backbone interact. energy: -0.009 local terms energy: -17.804908 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -0.289 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: 1, replica: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -41.634112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.634112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.634112 (E_RNA) where: Base-Base interactions energy: -15.154 where: short stacking energy: -15.154 Base-Backbone interact. energy: -0.000 local terms energy: -26.479723 where: bonds (distance) C4'-P energy: -5.670 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -4.102 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: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -37.954282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.954282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.954282 (E_RNA) where: Base-Base interactions energy: -10.955 where: short stacking energy: -10.955 Base-Backbone interact. energy: -0.000 local terms energy: -26.999212 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -3.232 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: 10 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -37.354228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.354228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.354228 (E_RNA) where: Base-Base interactions energy: -11.287 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.000 local terms energy: -26.067453 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -4.673 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: 25 Temperature: 1.050000 Total energy: -33.611252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.611252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.611252 (E_RNA) where: Base-Base interactions energy: -4.892 where: short stacking energy: -4.892 Base-Backbone interact. energy: -0.262 local terms energy: -28.457471 where: bonds (distance) C4'-P energy: -4.672 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -5.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -29.702386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.702386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.702386 (E_RNA) where: Base-Base interactions energy: -4.584 where: short stacking energy: -4.584 Base-Backbone interact. energy: -0.093 local terms energy: -25.024691 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -35.011649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.011649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.011649 (E_RNA) where: Base-Base interactions energy: -7.105 where: short stacking energy: -7.105 Base-Backbone interact. energy: -0.064 local terms energy: -27.842648 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -5.159 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: 7, replica: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -31.546107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.546107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.546107 (E_RNA) where: Base-Base interactions energy: -6.516 where: short stacking energy: -6.516 Base-Backbone interact. energy: -0.011 local terms energy: -25.019262 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -3.969 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: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -31.470961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.470961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.470961 (E_RNA) where: Base-Base interactions energy: -7.473 where: short stacking energy: -6.038 Base-Backbone interact. energy: -0.139 local terms energy: -23.858817 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.712 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -5.488 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: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -29.036314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.036314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.036314 (E_RNA) where: Base-Base interactions energy: -6.888 where: short stacking energy: -6.888 Base-Backbone interact. energy: -0.091 local terms energy: -22.056901 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -5.104 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: 1 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -28.506411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.506411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.506411 (E_RNA) where: Base-Base interactions energy: -3.743 where: short stacking energy: -3.743 Base-Backbone interact. energy: -0.143 local terms energy: -24.620454 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -5.047 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: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -43.158660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.158660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.158660 (E_RNA) where: Base-Base interactions energy: -12.087 where: short stacking energy: -12.087 Base-Backbone interact. energy: -0.074 local terms energy: -30.997371 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -4.739 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: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -35.553349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.553349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.553349 (E_RNA) where: Base-Base interactions energy: -5.751 where: short stacking energy: -5.751 Base-Backbone interact. energy: -0.003 local terms energy: -29.799615 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -35.064253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.064253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.064253 (E_RNA) where: Base-Base interactions energy: -9.812 where: short stacking energy: -9.812 Base-Backbone interact. energy: -0.119 local terms energy: -25.133847 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.216 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: 4, replica: 10 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -35.201028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.201028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.201028 (E_RNA) where: Base-Base interactions energy: -12.807 where: short stacking energy: -12.807 Base-Backbone interact. energy: -0.002 local terms energy: -22.391761 where: bonds (distance) C4'-P energy: -3.989 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -3.764 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: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -30.062885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.062885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.062885 (E_RNA) where: Base-Base interactions energy: -4.457 where: short stacking energy: -4.851 Base-Backbone interact. energy: -0.030 local terms energy: -25.575625 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -32.572738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.572738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.572738 (E_RNA) where: Base-Base interactions energy: -8.771 where: short stacking energy: -8.771 Base-Backbone interact. energy: -0.033 local terms energy: -23.769066 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -2.308 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: 8 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -30.225585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.225585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.225585 (E_RNA) where: Base-Base interactions energy: -5.801 where: short stacking energy: -5.801 Base-Backbone interact. energy: -0.000 local terms energy: -24.424863 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -4.913 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -29.539452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.539452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.539452 (E_RNA) where: Base-Base interactions energy: -5.101 where: short stacking energy: -5.101 Base-Backbone interact. energy: -0.026 local terms energy: -24.412595 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -6.108 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: 9, replica: 1 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -29.555669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.555669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.555669 (E_RNA) where: Base-Base interactions energy: -9.449 where: short stacking energy: -9.449 Base-Backbone interact. energy: -0.030 local terms energy: -20.077003 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.139 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -27.507828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.507828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.507828 (E_RNA) where: Base-Base interactions energy: -3.748 where: short stacking energy: -4.010 Base-Backbone interact. energy: -0.063 local terms energy: -23.696163 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -1.106 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -42.144194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.144194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.144194 (E_RNA) where: Base-Base interactions energy: -12.216 where: short stacking energy: -12.216 Base-Backbone interact. energy: -0.000 local terms energy: -29.928154 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -36.541350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.541350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.541350 (E_RNA) where: Base-Base interactions energy: -9.737 where: short stacking energy: -9.737 Base-Backbone interact. energy: -0.004 local terms energy: -26.801123 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -40.954176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.954176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.954176 (E_RNA) where: Base-Base interactions energy: -15.100 where: short stacking energy: -15.100 Base-Backbone interact. energy: -0.000 local terms energy: -25.854192 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -32.689254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.689254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.689254 (E_RNA) where: Base-Base interactions energy: -10.379 where: short stacking energy: -10.379 Base-Backbone interact. energy: -0.053 local terms energy: -22.257387 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -4.576 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: 10 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -35.440715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.440715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.440715 (E_RNA) where: Base-Base interactions energy: -8.132 where: short stacking energy: -8.132 Base-Backbone interact. energy: -2.466 local terms energy: -24.842686 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -5.282 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: 8 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -32.965712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.965712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.965712 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -6.993 Base-Backbone interact. energy: -0.083 local terms energy: -25.889356 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -6.377 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: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -32.690038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.690038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.690038 (E_RNA) where: Base-Base interactions energy: -5.752 where: short stacking energy: -5.752 Base-Backbone interact. energy: -0.000 local terms energy: -26.938136 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -2.006 tors. eta vs tors. theta energy: -6.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -29.505586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.505586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.505586 (E_RNA) where: Base-Base interactions energy: -3.891 where: short stacking energy: -3.891 Base-Backbone interact. energy: -0.119 local terms energy: -25.495146 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -3.442 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: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -28.925700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.925700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.925700 (E_RNA) where: Base-Base interactions energy: -8.055 where: short stacking energy: -7.467 Base-Backbone interact. energy: -0.011 local terms energy: -20.859208 where: bonds (distance) C4'-P energy: -0.859 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -31.095083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.095083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.095083 (E_RNA) where: Base-Base interactions energy: -6.231 where: short stacking energy: -6.231 Base-Backbone interact. energy: -0.004 local terms energy: -24.860866 where: bonds (distance) C4'-P energy: -4.630 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -4.718 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: 1, replica: 6 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -38.388821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.388821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.388821 (E_RNA) where: Base-Base interactions energy: -11.536 where: short stacking energy: -11.536 Base-Backbone interact. energy: -0.009 local terms energy: -26.843809 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -4.267 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: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -40.159169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.159169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.159169 (E_RNA) where: Base-Base interactions energy: -19.604 where: short stacking energy: -14.122 Base-Backbone interact. energy: -0.000 local terms energy: -20.555250 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -0.895 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: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -38.039386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.039386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.039386 (E_RNA) where: Base-Base interactions energy: -14.826 where: short stacking energy: -14.826 Base-Backbone interact. energy: -0.140 local terms energy: -23.073648 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -2.638 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: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -33.020048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.020048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.020048 (E_RNA) where: Base-Base interactions energy: -9.638 where: short stacking energy: -9.638 Base-Backbone interact. energy: -0.009 local terms energy: -23.372694 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -5.173 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: 5, replica: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -40.269279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.269279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.269279 (E_RNA) where: Base-Base interactions energy: -12.930 where: short stacking energy: -12.930 Base-Backbone interact. energy: -0.000 local terms energy: -27.339151 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -2.761 tors. eta vs tors. theta energy: -5.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -34.422403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.422403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.422403 (E_RNA) where: Base-Base interactions energy: -8.538 where: short stacking energy: -8.538 Base-Backbone interact. energy: -0.141 local terms energy: -25.743680 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -4.665 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: 7, replica: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -30.640227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.640227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.640227 (E_RNA) where: Base-Base interactions energy: -4.005 where: short stacking energy: -4.005 Base-Backbone interact. energy: -0.001 local terms energy: -26.634693 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -35.415429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.415429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.415429 (E_RNA) where: Base-Base interactions energy: -11.952 where: short stacking energy: -11.952 Base-Backbone interact. energy: -0.000 local terms energy: -23.463502 where: bonds (distance) C4'-P energy: -3.762 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -5.164 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: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -33.284879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.284879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.284879 (E_RNA) where: Base-Base interactions energy: -9.617 where: short stacking energy: -9.617 Base-Backbone interact. energy: -0.036 local terms energy: -23.631897 where: bonds (distance) C4'-P energy: -3.062 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -3.489 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: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -27.963721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.963721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.963721 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.002 local terms energy: -21.180299 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -3.717 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -35.748726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.748726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.748726 (E_RNA) where: Base-Base interactions energy: -10.467 where: short stacking energy: -10.467 Base-Backbone interact. energy: -0.000 local terms energy: -25.282009 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -0.244 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -35.965163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.965163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.965163 (E_RNA) where: Base-Base interactions energy: -12.650 where: short stacking energy: -10.906 Base-Backbone interact. energy: -0.016 local terms energy: -23.299141 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -3.369 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: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -37.010992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.010992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.010992 (E_RNA) where: Base-Base interactions energy: -10.278 where: short stacking energy: -10.278 Base-Backbone interact. energy: -0.000 local terms energy: -26.732364 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -42.662166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.662166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.662166 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.025 local terms energy: -29.551391 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -5.730 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: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -31.426750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.426750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.426750 (E_RNA) where: Base-Base interactions energy: -3.110 where: short stacking energy: -3.110 Base-Backbone interact. energy: -0.448 local terms energy: -27.868793 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -5.858 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: 6, replica: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -32.738417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.738417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.738417 (E_RNA) where: Base-Base interactions energy: -11.104 where: short stacking energy: -11.104 Base-Backbone interact. energy: -0.052 local terms energy: -21.583007 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: 0.547 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: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -31.460326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.460326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.460326 (E_RNA) where: Base-Base interactions energy: -11.163 where: short stacking energy: -11.163 Base-Backbone interact. energy: -0.008 local terms energy: -20.289286 where: bonds (distance) C4'-P energy: -4.212 bonds (distance) P-C4' energy: -5.444 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -2.579 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: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -35.076429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.076429 (E_RNA) where: Base-Base interactions energy: -8.685 where: short stacking energy: -8.685 Base-Backbone interact. energy: -0.004 local terms energy: -26.387161 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.404 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -3.897 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: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -31.986218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.986218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.986218 (E_RNA) where: Base-Base interactions energy: -7.412 where: short stacking energy: -7.412 Base-Backbone interact. energy: -0.000 local terms energy: -24.574022 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.608 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: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -30.278696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.278696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.278696 (E_RNA) where: Base-Base interactions energy: -7.288 where: short stacking energy: -7.288 Base-Backbone interact. energy: -0.006 local terms energy: -22.984853 where: bonds (distance) C4'-P energy: -3.210 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -6.012 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: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -40.744645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.744645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.744645 (E_RNA) where: Base-Base interactions energy: -11.808 where: short stacking energy: -11.808 Base-Backbone interact. energy: -0.000 local terms energy: -28.936153 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -4.218 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: 2, replica: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -42.440720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.440720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.440720 (E_RNA) where: Base-Base interactions energy: -15.011 where: short stacking energy: -15.011 Base-Backbone interact. energy: -0.001 local terms energy: -27.428890 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -39.113703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.113703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.113703 (E_RNA) where: Base-Base interactions energy: -12.966 where: short stacking energy: -12.966 Base-Backbone interact. energy: -0.007 local terms energy: -26.140363 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -34.881052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.881052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.881052 (E_RNA) where: Base-Base interactions energy: -9.795 where: short stacking energy: -9.795 Base-Backbone interact. energy: -0.057 local terms energy: -25.028761 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -0.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -36.854810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.854810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.854810 (E_RNA) where: Base-Base interactions energy: -9.805 where: short stacking energy: -9.805 Base-Backbone interact. energy: -0.151 local terms energy: -26.898762 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -5.195 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: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -30.810692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.810692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.810692 (E_RNA) where: Base-Base interactions energy: -6.050 where: short stacking energy: -5.127 Base-Backbone interact. energy: -0.068 local terms energy: -24.692791 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -4.971 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: 7, replica: 4 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -30.560509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.560509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.560509 (E_RNA) where: Base-Base interactions energy: -10.093 where: short stacking energy: -10.093 Base-Backbone interact. energy: -0.858 local terms energy: -19.608891 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -2.333 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: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -28.988934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.988934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.988934 (E_RNA) where: Base-Base interactions energy: -8.625 where: short stacking energy: -8.625 Base-Backbone interact. energy: -0.266 local terms energy: -20.097756 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -4.408 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: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -28.194510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.194510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.194510 (E_RNA) where: Base-Base interactions energy: -7.898 where: short stacking energy: -7.898 Base-Backbone interact. energy: -0.005 local terms energy: -20.291576 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: 0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -27.527621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.527621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.527621 (E_RNA) where: Base-Base interactions energy: -8.839 where: short stacking energy: -8.839 Base-Backbone interact. energy: -0.049 local terms energy: -18.639443 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -1.973 flat angles P-C4'-P energy: -5.253 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: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -42.533204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.533204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.533204 (E_RNA) where: Base-Base interactions energy: -11.536 where: short stacking energy: -11.536 Base-Backbone interact. energy: -0.000 local terms energy: -30.997436 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -6.807 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: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -40.997433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.997433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.997433 (E_RNA) where: Base-Base interactions energy: -13.210 where: short stacking energy: -12.236 Base-Backbone interact. energy: -0.053 local terms energy: -27.734675 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -5.417 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: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -35.527888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.527888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.527888 (E_RNA) where: Base-Base interactions energy: -10.741 where: short stacking energy: -10.741 Base-Backbone interact. energy: -0.001 local terms energy: -24.786243 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -4.525 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -5.093 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: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -40.030393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.030393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.030393 (E_RNA) where: Base-Base interactions energy: -11.947 where: short stacking energy: -11.947 Base-Backbone interact. energy: -0.000 local terms energy: -28.083019 where: bonds (distance) C4'-P energy: -5.785 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -4.934 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: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -38.571654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.571654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.571654 (E_RNA) where: Base-Base interactions energy: -12.042 where: short stacking energy: -12.042 Base-Backbone interact. energy: -0.010 local terms energy: -26.519306 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -4.647 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: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -34.521625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.521625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.521625 (E_RNA) where: Base-Base interactions energy: -11.604 where: short stacking energy: -11.604 Base-Backbone interact. energy: -0.000 local terms energy: -22.917245 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -2.954 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: 31 Temperature: 1.200000 Total energy: -34.665266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.665266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.665266 (E_RNA) where: Base-Base interactions energy: -9.864 where: short stacking energy: -9.864 Base-Backbone interact. energy: -0.106 local terms energy: -24.695402 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -3.082 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: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -31.305029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.305029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.305029 (E_RNA) where: Base-Base interactions energy: -5.434 where: short stacking energy: -5.434 Base-Backbone interact. energy: -1.024 local terms energy: -24.847043 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -3.778 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: 9, replica: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -30.551425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.551425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.551425 (E_RNA) where: Base-Base interactions energy: -8.089 where: short stacking energy: -8.089 Base-Backbone interact. energy: -0.000 local terms energy: -22.462215 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -2.522 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: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -27.088269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.088269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.088269 (E_RNA) where: Base-Base interactions energy: -3.988 where: short stacking energy: -4.223 Base-Backbone interact. energy: -0.006 local terms energy: -23.094367 where: bonds (distance) C4'-P energy: -4.014 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -3.436 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: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -34.517583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.517583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.517583 (E_RNA) where: Base-Base interactions energy: -11.271 where: short stacking energy: -11.271 Base-Backbone interact. energy: -0.026 local terms energy: -23.220089 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: 0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -42.950342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.950342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.950342 (E_RNA) where: Base-Base interactions energy: -13.822 where: short stacking energy: -13.822 Base-Backbone interact. energy: -0.000 local terms energy: -29.128025 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -5.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -34.586404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.586404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.586404 (E_RNA) where: Base-Base interactions energy: -9.379 where: short stacking energy: -9.379 Base-Backbone interact. energy: -0.000 local terms energy: -25.207746 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -6.057 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: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -32.340839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.340839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.340839 (E_RNA) where: Base-Base interactions energy: -10.134 where: short stacking energy: -10.134 Base-Backbone interact. energy: -0.043 local terms energy: -22.163965 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.330 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -33.614577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.614577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.614577 (E_RNA) where: Base-Base interactions energy: -9.248 where: short stacking energy: -8.201 Base-Backbone interact. energy: -0.219 local terms energy: -24.148518 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -5.185 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: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -36.896963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.896963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.896963 (E_RNA) where: Base-Base interactions energy: -10.817 where: short stacking energy: -9.976 Base-Backbone interact. energy: -0.062 local terms energy: -26.018176 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.155 flat angles P-C4'-P energy: -4.914 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: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -33.301225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.301225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.301225 (E_RNA) where: Base-Base interactions energy: -10.981 where: short stacking energy: -10.981 Base-Backbone interact. energy: -0.001 local terms energy: -22.319814 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -4.644 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: 8, replica: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -29.284612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.284612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.284612 (E_RNA) where: Base-Base interactions energy: -4.054 where: short stacking energy: -4.054 Base-Backbone interact. energy: -0.008 local terms energy: -25.222981 where: bonds (distance) C4'-P energy: -5.963 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -4.651 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: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -29.771229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.771229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.771229 (E_RNA) where: Base-Base interactions energy: -6.259 where: short stacking energy: -6.259 Base-Backbone interact. energy: -0.092 local terms energy: -23.420149 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -28.561620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.561620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.561620 (E_RNA) where: Base-Base interactions energy: -5.050 where: short stacking energy: -5.050 Base-Backbone interact. energy: -0.001 local terms energy: -23.510640 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -34.325628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.325628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.325628 (E_RNA) where: Base-Base interactions energy: -7.379 where: short stacking energy: -7.379 Base-Backbone interact. energy: -0.067 local terms energy: -26.879153 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -3.495 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: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -38.923033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.923033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.923033 (E_RNA) where: Base-Base interactions energy: -9.664 where: short stacking energy: -9.664 Base-Backbone interact. energy: -0.028 local terms energy: -29.231197 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -40.418517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.418517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.418517 (E_RNA) where: Base-Base interactions energy: -12.337 where: short stacking energy: -12.337 Base-Backbone interact. energy: -0.002 local terms energy: -28.079232 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -36.441638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.441638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.441638 (E_RNA) where: Base-Base interactions energy: -12.138 where: short stacking energy: -12.138 Base-Backbone interact. energy: -0.254 local terms energy: -24.049598 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -4.664 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: 5, replica: 8 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -31.399042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.399042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.399042 (E_RNA) where: Base-Base interactions energy: -5.984 where: short stacking energy: -5.984 Base-Backbone interact. energy: -0.004 local terms energy: -25.411607 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -4.450 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: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -33.494924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.494924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.494924 (E_RNA) where: Base-Base interactions energy: -8.368 where: short stacking energy: -8.368 Base-Backbone interact. energy: -0.000 local terms energy: -25.126642 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -4.387 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: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -31.712380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.712380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.712380 (E_RNA) where: Base-Base interactions energy: -12.120 where: short stacking energy: -12.120 Base-Backbone interact. energy: -0.012 local terms energy: -19.580292 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -30.440020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.440020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.440020 (E_RNA) where: Base-Base interactions energy: -7.135 where: short stacking energy: -7.135 Base-Backbone interact. energy: -0.010 local terms energy: -23.295765 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -5.699 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: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -29.312545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.312545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.312545 (E_RNA) where: Base-Base interactions energy: -5.250 where: short stacking energy: -5.250 Base-Backbone interact. energy: -0.000 local terms energy: -24.061974 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -2.349 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: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -29.162547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.162547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.162547 (E_RNA) where: Base-Base interactions energy: -5.538 where: short stacking energy: -5.538 Base-Backbone interact. energy: -0.007 local terms energy: -23.617312 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -5.422 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: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -40.594665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.594665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.594665 (E_RNA) where: Base-Base interactions energy: -12.306 where: short stacking energy: -12.306 Base-Backbone interact. energy: 0.075 local terms energy: -28.364367 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -3.657 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: 2, replica: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -33.915576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.915576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.915576 (E_RNA) where: Base-Base interactions energy: -11.205 where: short stacking energy: -11.205 Base-Backbone interact. energy: -0.000 local terms energy: -22.710487 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -4.264 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: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -39.056298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.056298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.056298 (E_RNA) where: Base-Base interactions energy: -13.853 where: short stacking energy: -13.853 Base-Backbone interact. energy: -0.001 local terms energy: -25.202135 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -33.476939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.476939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.476939 (E_RNA) where: Base-Base interactions energy: -8.534 where: short stacking energy: -8.534 Base-Backbone interact. energy: -0.008 local terms energy: -24.935390 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -31.949142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.949142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.949142 (E_RNA) where: Base-Base interactions energy: -5.946 where: short stacking energy: -5.946 Base-Backbone interact. energy: -0.021 local terms energy: -25.982231 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.970 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: 8 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -30.524538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.524538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.524538 (E_RNA) where: Base-Base interactions energy: -6.591 where: short stacking energy: -6.591 Base-Backbone interact. energy: -0.048 local terms energy: -23.884810 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -2.996 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: 7, replica: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -29.694026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.694026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.694026 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.844 local terms energy: -21.029877 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -27.607961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.607961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.607961 (E_RNA) where: Base-Base interactions energy: -3.642 where: short stacking energy: -3.642 Base-Backbone interact. energy: -0.038 local terms energy: -23.928817 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -3.590 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: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -31.581085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.581085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.581085 (E_RNA) where: Base-Base interactions energy: -4.530 where: short stacking energy: -4.530 Base-Backbone interact. energy: -0.002 local terms energy: -27.049841 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -27.159311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.159311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.159311 (E_RNA) where: Base-Base interactions energy: -3.009 where: short stacking energy: -3.009 Base-Backbone interact. energy: -0.000 local terms energy: -24.149493 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -4.045 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: 1, replica: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -40.364952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.364952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.364952 (E_RNA) where: Base-Base interactions energy: -11.667 where: short stacking energy: -11.667 Base-Backbone interact. energy: -0.001 local terms energy: -28.696867 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -4.565 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: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -36.270710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.270710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.270710 (E_RNA) where: Base-Base interactions energy: -9.739 where: short stacking energy: -9.739 Base-Backbone interact. energy: -0.000 local terms energy: -26.531224 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -36.953943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.953943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.953943 (E_RNA) where: Base-Base interactions energy: -14.792 where: short stacking energy: -14.792 Base-Backbone interact. energy: -0.073 local terms energy: -22.089040 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -2.389 flat angles C4'-P-C4' energy: -3.559 flat angles P-C4'-P energy: -5.691 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: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -35.885082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.885082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.885082 (E_RNA) where: Base-Base interactions energy: -11.141 where: short stacking energy: -11.141 Base-Backbone interact. energy: -0.637 local terms energy: -24.107108 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.105 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -34.758264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.758264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.758264 (E_RNA) where: Base-Base interactions energy: -11.447 where: short stacking energy: -11.447 Base-Backbone interact. energy: -0.000 local terms energy: -23.310928 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -1.968 tors. eta vs tors. theta energy: -4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -32.240556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.240556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.240556 (E_RNA) where: Base-Base interactions energy: -10.879 where: short stacking energy: -8.550 Base-Backbone interact. energy: -0.013 local terms energy: -21.349406 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.387 flat angles P-C4'-P energy: -3.297 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: 7, replica: 8 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -31.707882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.707882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.707882 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: 0.261 local terms energy: -24.044055 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -30.168338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.168338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.168338 (E_RNA) where: Base-Base interactions energy: -9.732 where: short stacking energy: -9.732 Base-Backbone interact. energy: -0.053 local terms energy: -20.382874 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -2.274 flat angles P-C4'-P energy: -2.740 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: 9, replica: 10 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -32.491228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.491228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.491228 (E_RNA) where: Base-Base interactions energy: -8.309 where: short stacking energy: -8.309 Base-Backbone interact. energy: -0.020 local terms energy: -24.162015 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -31.753891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.753891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.753891 (E_RNA) where: Base-Base interactions energy: -7.172 where: short stacking energy: -7.172 Base-Backbone interact. energy: -0.017 local terms energy: -24.564347 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -39.776289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.776289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.776289 (E_RNA) where: Base-Base interactions energy: -12.967 where: short stacking energy: -11.827 Base-Backbone interact. energy: -0.086 local terms energy: -26.723372 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -5.573 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: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -34.505955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.505955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.505955 (E_RNA) where: Base-Base interactions energy: -10.461 where: short stacking energy: -10.461 Base-Backbone interact. energy: -0.000 local terms energy: -24.044820 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -0.851 tors. eta vs tors. theta energy: -4.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -33.689634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.689634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.689634 (E_RNA) where: Base-Base interactions energy: -10.836 where: short stacking energy: -10.891 Base-Backbone interact. energy: -0.032 local terms energy: -22.822082 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -4.728 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: 4, replica: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -35.588199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.588199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.588199 (E_RNA) where: Base-Base interactions energy: -10.535 where: short stacking energy: -10.535 Base-Backbone interact. energy: -0.014 local terms energy: -25.039815 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -3.774 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: 5, replica: 9 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -35.883420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.883420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.883420 (E_RNA) where: Base-Base interactions energy: -6.559 where: short stacking energy: -6.559 Base-Backbone interact. energy: -0.138 local terms energy: -29.187256 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -3.684 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: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -32.191066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.191066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.191066 (E_RNA) where: Base-Base interactions energy: -11.662 where: short stacking energy: -11.885 Base-Backbone interact. energy: 0.040 local terms energy: -20.568331 where: bonds (distance) C4'-P energy: -2.270 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -3.583 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: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -35.630662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.630662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.630662 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.000 local terms energy: -24.996557 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -3.360 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: 8, replica: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -29.690165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.690165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.690165 (E_RNA) where: Base-Base interactions energy: -2.956 where: short stacking energy: -2.956 Base-Backbone interact. energy: -0.065 local terms energy: -26.669291 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -3.156 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: 9, replica: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -30.114469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.114469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.114469 (E_RNA) where: Base-Base interactions energy: -8.769 where: short stacking energy: -6.541 Base-Backbone interact. energy: -0.290 local terms energy: -21.055532 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -30.953331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.953331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.953331 (E_RNA) where: Base-Base interactions energy: -6.228 where: short stacking energy: -6.228 Base-Backbone interact. energy: -0.051 local terms energy: -24.674460 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -2.604 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: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -40.147902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.147902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.147902 (E_RNA) where: Base-Base interactions energy: -14.191 where: short stacking energy: -10.302 Base-Backbone interact. energy: -0.084 local terms energy: -25.872584 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -5.157 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: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -37.825605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.825605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.825605 (E_RNA) where: Base-Base interactions energy: -11.405 where: short stacking energy: -11.405 Base-Backbone interact. energy: -0.177 local terms energy: -26.243138 where: bonds (distance) C4'-P energy: -6.158 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -5.500 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: 3, replica: 1 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -35.898446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.898446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.898446 (E_RNA) where: Base-Base interactions energy: -11.618 where: short stacking energy: -11.618 Base-Backbone interact. energy: -0.024 local terms energy: -24.256672 where: bonds (distance) C4'-P energy: -3.757 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -38.771658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.771658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.771658 (E_RNA) where: Base-Base interactions energy: -9.032 where: short stacking energy: -9.032 Base-Backbone interact. energy: -0.008 local terms energy: -29.732181 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -4.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -30.919806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.919806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.919806 (E_RNA) where: Base-Base interactions energy: -10.323 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.000 local terms energy: -20.596871 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -4.612 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -29.184749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.184749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.184749 (E_RNA) where: Base-Base interactions energy: -10.898 where: short stacking energy: -10.898 Base-Backbone interact. energy: -0.055 local terms energy: -18.231445 where: bonds (distance) C4'-P energy: -3.149 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -4.464 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: 7, replica: 3 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -28.631170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.631170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.631170 (E_RNA) where: Base-Base interactions energy: -8.632 where: short stacking energy: -8.632 Base-Backbone interact. energy: -0.069 local terms energy: -19.930170 where: bonds (distance) C4'-P energy: -3.472 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -3.073 flat angles P-C4'-P energy: -3.662 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: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -35.107716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.107716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.107716 (E_RNA) where: Base-Base interactions energy: -10.321 where: short stacking energy: -10.321 Base-Backbone interact. energy: -0.000 local terms energy: -24.786222 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -2.091 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: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -36.705548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.705548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.705548 (E_RNA) where: Base-Base interactions energy: -13.192 where: short stacking energy: -10.515 Base-Backbone interact. energy: -0.097 local terms energy: -23.416455 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -4.467 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -3.085 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: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -26.059914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.059914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.059914 (E_RNA) where: Base-Base interactions energy: -4.282 where: short stacking energy: -4.282 Base-Backbone interact. energy: -0.340 local terms energy: -21.438538 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: 2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -33.390503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.390503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.390503 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.164 local terms energy: -25.920012 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -4.869 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: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -38.720061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.720061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.720061 (E_RNA) where: Base-Base interactions energy: -10.861 where: short stacking energy: -10.861 Base-Backbone interact. energy: -0.000 local terms energy: -27.858567 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -4.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -35.180455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.180455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.180455 (E_RNA) where: Base-Base interactions energy: -10.539 where: short stacking energy: -10.539 Base-Backbone interact. energy: -0.002 local terms energy: -24.639290 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -2.970 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: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -38.723534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.723534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.723534 (E_RNA) where: Base-Base interactions energy: -13.485 where: short stacking energy: -13.485 Base-Backbone interact. energy: -0.015 local terms energy: -25.223118 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -3.979 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: 5, replica: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -30.324697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.324697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.324697 (E_RNA) where: Base-Base interactions energy: -8.364 where: short stacking energy: -8.364 Base-Backbone interact. energy: -0.272 local terms energy: -21.688662 where: bonds (distance) C4'-P energy: -4.366 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -2.905 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: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -34.561103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.561103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.561103 (E_RNA) where: Base-Base interactions energy: -9.221 where: short stacking energy: -9.221 Base-Backbone interact. energy: -0.001 local terms energy: -25.338745 where: bonds (distance) C4'-P energy: -4.232 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -30.661724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.661724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.661724 (E_RNA) where: Base-Base interactions energy: -8.005 where: short stacking energy: -8.005 Base-Backbone interact. energy: -0.007 local terms energy: -22.650440 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.796 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: 8, replica: 3 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -31.851739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.851739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.851739 (E_RNA) where: Base-Base interactions energy: -7.276 where: short stacking energy: -7.276 Base-Backbone interact. energy: -0.003 local terms energy: -24.572353 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -4.281 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: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -32.622841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.622841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.622841 (E_RNA) where: Base-Base interactions energy: -12.074 where: short stacking energy: -12.074 Base-Backbone interact. energy: -0.005 local terms energy: -20.543641 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -1.496 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -34.520354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.520354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.520354 (E_RNA) where: Base-Base interactions energy: -9.288 where: short stacking energy: -9.288 Base-Backbone interact. energy: -0.000 local terms energy: -25.232237 where: bonds (distance) C4'-P energy: -1.740 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -4.984 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: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -38.171429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.171429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.171429 (E_RNA) where: Base-Base interactions energy: -9.931 where: short stacking energy: -9.931 Base-Backbone interact. energy: -0.001 local terms energy: -28.239839 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -4.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -35.439972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.439972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.439972 (E_RNA) where: Base-Base interactions energy: -8.501 where: short stacking energy: -8.501 Base-Backbone interact. energy: -0.041 local terms energy: -26.897821 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -5.129 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: 3, replica: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -39.711296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.711296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.711296 (E_RNA) where: Base-Base interactions energy: -14.319 where: short stacking energy: -14.126 Base-Backbone interact. energy: -0.033 local terms energy: -25.359004 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -5.201 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: 4, replica: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -36.238759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.238759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.238759 (E_RNA) where: Base-Base interactions energy: -11.057 where: short stacking energy: -11.057 Base-Backbone interact. energy: -0.084 local terms energy: -25.097145 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: 0.378 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: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -37.403277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.403277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.403277 (E_RNA) where: Base-Base interactions energy: -6.692 where: short stacking energy: -6.692 Base-Backbone interact. energy: -0.037 local terms energy: -30.674400 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -34.166385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.166385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.166385 (E_RNA) where: Base-Base interactions energy: -9.451 where: short stacking energy: -8.802 Base-Backbone interact. energy: -0.012 local terms energy: -24.703579 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -28.512323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.512323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.512323 (E_RNA) where: Base-Base interactions energy: -5.478 where: short stacking energy: -5.478 Base-Backbone interact. energy: -0.146 local terms energy: -22.888313 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -3.233 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: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -29.974902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.974902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.974902 (E_RNA) where: Base-Base interactions energy: -10.514 where: short stacking energy: -10.514 Base-Backbone interact. energy: -0.001 local terms energy: -19.460261 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -5.989 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -1.386 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: 3 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -28.250458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.250458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.250458 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -7.861 Base-Backbone interact. energy: -0.025 local terms energy: -20.364062 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -2.075 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: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -26.912381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.912381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.912381 (E_RNA) where: Base-Base interactions energy: -4.456 where: short stacking energy: -4.456 Base-Backbone interact. energy: -0.044 local terms energy: -22.412787 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -38.132854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.132854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.132854 (E_RNA) where: Base-Base interactions energy: -11.488 where: short stacking energy: -11.488 Base-Backbone interact. energy: -0.146 local terms energy: -26.498617 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -2.476 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: 2 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -40.833277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.833277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.833277 (E_RNA) where: Base-Base interactions energy: -13.641 where: short stacking energy: -13.641 Base-Backbone interact. energy: -0.001 local terms energy: -27.191240 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -3.112 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: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -39.258726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.258726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.258726 (E_RNA) where: Base-Base interactions energy: -11.327 where: short stacking energy: -11.327 Base-Backbone interact. energy: -0.000 local terms energy: -27.932032 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -37.580131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.580131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.580131 (E_RNA) where: Base-Base interactions energy: -14.582 where: short stacking energy: -14.582 Base-Backbone interact. energy: -0.003 local terms energy: -22.994511 where: bonds (distance) C4'-P energy: -0.594 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -6.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -39.997330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.997330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.997330 (E_RNA) where: Base-Base interactions energy: -14.255 where: short stacking energy: -14.255 Base-Backbone interact. energy: -0.190 local terms energy: -25.552520 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -4.661 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: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -34.781801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.781801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.781801 (E_RNA) where: Base-Base interactions energy: -8.466 where: short stacking energy: -8.466 Base-Backbone interact. energy: -0.004 local terms energy: -26.311084 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.971 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: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -32.299038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.299038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.299038 (E_RNA) where: Base-Base interactions energy: -7.790 where: short stacking energy: -7.790 Base-Backbone interact. energy: -0.001 local terms energy: -24.507729 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -4.775 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: 6 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -32.673916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.673916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.673916 (E_RNA) where: Base-Base interactions energy: -9.945 where: short stacking energy: -9.945 Base-Backbone interact. energy: -0.058 local terms energy: -22.670503 where: bonds (distance) C4'-P energy: -4.630 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.282 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -31.862687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.862687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.862687 (E_RNA) where: Base-Base interactions energy: -8.110 where: short stacking energy: -6.420 Base-Backbone interact. energy: -0.082 local terms energy: -23.670670 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.401 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: 3 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -31.017424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.017424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.017424 (E_RNA) where: Base-Base interactions energy: -4.926 where: short stacking energy: -4.926 Base-Backbone interact. energy: -0.105 local terms energy: -25.986473 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -5.124 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: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -34.319152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.319152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.319152 (E_RNA) where: Base-Base interactions energy: -9.339 where: short stacking energy: -8.520 Base-Backbone interact. energy: 0.531 local terms energy: -25.510536 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -4.229 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: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -39.285762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.285762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.285762 (E_RNA) where: Base-Base interactions energy: -13.647 where: short stacking energy: -13.647 Base-Backbone interact. energy: -0.003 local terms energy: -25.635618 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -38.660570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.660570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.660570 (E_RNA) where: Base-Base interactions energy: -12.928 where: short stacking energy: -11.254 Base-Backbone interact. energy: 0.219 local terms energy: -25.951443 where: bonds (distance) C4'-P energy: -4.721 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -5.581 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: 4, replica: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -36.098764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.098764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.098764 (E_RNA) where: Base-Base interactions energy: -11.204 where: short stacking energy: -11.204 Base-Backbone interact. energy: -0.000 local terms energy: -24.894375 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -1.471 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -34.001917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.001917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.001917 (E_RNA) where: Base-Base interactions energy: -13.908 where: short stacking energy: -13.908 Base-Backbone interact. energy: -0.098 local terms energy: -19.995993 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -0.464 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -32.542675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.542675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.542675 (E_RNA) where: Base-Base interactions energy: -10.074 where: short stacking energy: -10.074 Base-Backbone interact. energy: -0.017 local terms energy: -22.451406 where: bonds (distance) C4'-P energy: -5.223 bonds (distance) P-C4' energy: -6.461 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -35.045835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.045835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.045835 (E_RNA) where: Base-Base interactions energy: -10.897 where: short stacking energy: -10.897 Base-Backbone interact. energy: -0.089 local terms energy: -24.059789 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -3.758 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: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -30.711691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.711691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.711691 (E_RNA) where: Base-Base interactions energy: -4.255 where: short stacking energy: -4.352 Base-Backbone interact. energy: -0.032 local terms energy: -26.424850 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -4.714 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: 9, replica: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -31.932456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.932456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.932456 (E_RNA) where: Base-Base interactions energy: -7.399 where: short stacking energy: -7.399 Base-Backbone interact. energy: -0.111 local terms energy: -24.422137 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -4.611 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: 10, replica: 3 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -29.358144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.358144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.358144 (E_RNA) where: Base-Base interactions energy: -7.527 where: short stacking energy: -7.527 Base-Backbone interact. energy: -0.168 local terms energy: -21.662416 where: bonds (distance) C4'-P energy: -5.147 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: 0.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -43.854824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.854824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.854824 (E_RNA) where: Base-Base interactions energy: -12.435 where: short stacking energy: -12.435 Base-Backbone interact. energy: -0.000 local terms energy: -31.419510 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -5.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -40.381287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.381287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.381287 (E_RNA) where: Base-Base interactions energy: -15.956 where: short stacking energy: -14.184 Base-Backbone interact. energy: -0.003 local terms energy: -24.422349 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -4.724 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: 3, replica: 4 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -40.018595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.018595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.018595 (E_RNA) where: Base-Base interactions energy: -12.387 where: short stacking energy: -12.387 Base-Backbone interact. energy: -0.083 local terms energy: -27.548177 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -37.399008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.399008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.399008 (E_RNA) where: Base-Base interactions energy: -10.476 where: short stacking energy: -10.476 Base-Backbone interact. energy: -0.090 local terms energy: -26.833478 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -35.069173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.069173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.069173 (E_RNA) where: Base-Base interactions energy: -9.735 where: short stacking energy: -9.121 Base-Backbone interact. energy: -0.039 local terms energy: -25.295449 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -32.701033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.701033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.701033 (E_RNA) where: Base-Base interactions energy: -8.090 where: short stacking energy: -6.682 Base-Backbone interact. energy: -0.009 local terms energy: -24.601431 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -30.877138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.877138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.877138 (E_RNA) where: Base-Base interactions energy: -10.808 where: short stacking energy: -10.808 Base-Backbone interact. energy: -0.070 local terms energy: -19.999751 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -0.624 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -30.555213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.555213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.555213 (E_RNA) where: Base-Base interactions energy: -7.550 where: short stacking energy: -7.550 Base-Backbone interact. energy: -0.102 local terms energy: -22.903613 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -3.231 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: 9, replica: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -30.411110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.411110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.411110 (E_RNA) where: Base-Base interactions energy: -5.234 where: short stacking energy: -5.234 Base-Backbone interact. energy: -0.004 local terms energy: -25.173263 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: 0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -27.925224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.925224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.925224 (E_RNA) where: Base-Base interactions energy: -8.303 where: short stacking energy: -8.303 Base-Backbone interact. energy: -0.009 local terms energy: -19.613262 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -2.329 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -38.609852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.609852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.609852 (E_RNA) where: Base-Base interactions energy: -10.336 where: short stacking energy: -10.336 Base-Backbone interact. energy: -0.000 local terms energy: -28.273831 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -38.364924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.364924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.364924 (E_RNA) where: Base-Base interactions energy: -11.168 where: short stacking energy: -11.168 Base-Backbone interact. energy: -0.003 local terms energy: -27.193407 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -1.702 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: 3, replica: 9 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -35.677916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.677916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.677916 (E_RNA) where: Base-Base interactions energy: -9.815 where: short stacking energy: -9.824 Base-Backbone interact. energy: -0.042 local terms energy: -25.821002 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -5.426 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: 10 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -36.797804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.797804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.797804 (E_RNA) where: Base-Base interactions energy: -10.581 where: short stacking energy: -10.581 Base-Backbone interact. energy: -0.002 local terms energy: -26.214693 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.454 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -5.803 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: 5, replica: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -34.906526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.906526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.906526 (E_RNA) where: Base-Base interactions energy: -11.472 where: short stacking energy: -11.472 Base-Backbone interact. energy: -0.048 local terms energy: -23.386259 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -3.277 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -34.462041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.462041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.462041 (E_RNA) where: Base-Base interactions energy: -10.934 where: short stacking energy: -10.934 Base-Backbone interact. energy: 0.082 local terms energy: -23.610259 where: bonds (distance) C4'-P energy: -2.846 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -3.966 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: 7, replica: 5 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -31.647487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.647487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.647487 (E_RNA) where: Base-Base interactions energy: -7.374 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.001 local terms energy: -24.272470 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -30.147310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.147310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.147310 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.001 local terms energy: -21.394903 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.070 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: 9, replica: 1 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -27.245671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.245671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.245671 (E_RNA) where: Base-Base interactions energy: -4.510 where: short stacking energy: -4.510 Base-Backbone interact. energy: -0.023 local terms energy: -22.712872 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.144 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: 10, replica: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -28.482048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.482048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.482048 (E_RNA) where: Base-Base interactions energy: -7.276 where: short stacking energy: -7.276 Base-Backbone interact. energy: -0.053 local terms energy: -21.153192 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -5.194 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: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -39.021648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.021648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.021648 (E_RNA) where: Base-Base interactions energy: -12.203 where: short stacking energy: -12.203 Base-Backbone interact. energy: -0.000 local terms energy: -26.818266 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.502 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: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -30.293623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.293623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.293623 (E_RNA) where: Base-Base interactions energy: -5.604 where: short stacking energy: -5.604 Base-Backbone interact. energy: -0.055 local terms energy: -24.634271 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -34.973750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.973750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.973750 (E_RNA) where: Base-Base interactions energy: -11.748 where: short stacking energy: -11.748 Base-Backbone interact. energy: -0.007 local terms energy: -23.219105 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -4.211 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: 9 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -40.845631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.845631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.845631 (E_RNA) where: Base-Base interactions energy: -13.108 where: short stacking energy: -13.108 Base-Backbone interact. energy: -0.006 local terms energy: -27.731434 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -5.051 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: 5, replica: 8 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -36.949909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.949909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.949909 (E_RNA) where: Base-Base interactions energy: -9.588 where: short stacking energy: -9.588 Base-Backbone interact. energy: -0.011 local terms energy: -27.350130 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -3.866 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: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -28.930796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.930796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.930796 (E_RNA) where: Base-Base interactions energy: -8.818 where: short stacking energy: -8.818 Base-Backbone interact. energy: -0.002 local terms energy: -20.110513 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -4.483 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: 0.653 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: 7, replica: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -33.322520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.322520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.322520 (E_RNA) where: Base-Base interactions energy: -10.359 where: short stacking energy: -10.669 Base-Backbone interact. energy: -0.001 local terms energy: -22.962430 where: bonds (distance) C4'-P energy: -5.674 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -3.979 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: 8, replica: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -33.093662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.093662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.093662 (E_RNA) where: Base-Base interactions energy: -8.285 where: short stacking energy: -8.285 Base-Backbone interact. energy: -0.046 local terms energy: -24.762815 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -4.151 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: 9, replica: 6 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -30.507595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.507595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.507595 (E_RNA) where: Base-Base interactions energy: -5.410 where: short stacking energy: -5.410 Base-Backbone interact. energy: -0.003 local terms energy: -25.094179 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -2.207 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: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -29.995414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.995414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.995414 (E_RNA) where: Base-Base interactions energy: -7.363 where: short stacking energy: -7.363 Base-Backbone interact. energy: -0.000 local terms energy: -22.632236 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -37.624203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.624203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.624203 (E_RNA) where: Base-Base interactions energy: -10.879 where: short stacking energy: -10.392 Base-Backbone interact. energy: -0.078 local terms energy: -26.667466 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -37.120041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.120041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.120041 (E_RNA) where: Base-Base interactions energy: -10.814 where: short stacking energy: -10.814 Base-Backbone interact. energy: -0.011 local terms energy: -26.295410 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -5.510 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: 3, replica: 7 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -40.045385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.045385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.045385 (E_RNA) where: Base-Base interactions energy: -13.971 where: short stacking energy: -13.971 Base-Backbone interact. energy: -0.002 local terms energy: -26.072996 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -32.632550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.632550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.632550 (E_RNA) where: Base-Base interactions energy: -9.191 where: short stacking energy: -9.191 Base-Backbone interact. energy: -0.002 local terms energy: -23.440024 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -30.140683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.140683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.140683 (E_RNA) where: Base-Base interactions energy: -4.044 where: short stacking energy: -3.891 Base-Backbone interact. energy: 0.629 local terms energy: -26.725896 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -5.781 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: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -32.491131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.491131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.491131 (E_RNA) where: Base-Base interactions energy: -10.583 where: short stacking energy: -10.583 Base-Backbone interact. energy: -0.010 local terms energy: -21.898576 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -34.955241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.955241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.955241 (E_RNA) where: Base-Base interactions energy: -9.079 where: short stacking energy: -9.079 Base-Backbone interact. energy: -0.000 local terms energy: -25.875959 where: bonds (distance) C4'-P energy: -3.690 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -31.036890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.036890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.036890 (E_RNA) where: Base-Base interactions energy: -7.859 where: short stacking energy: -7.859 Base-Backbone interact. energy: -0.007 local terms energy: -23.171417 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -5.243 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: 9, replica: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -33.813306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.813306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.813306 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -11.614 Base-Backbone interact. energy: -0.002 local terms energy: -21.728799 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -1.531 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -26.852372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.852372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.852372 (E_RNA) where: Base-Base interactions energy: -6.228 where: short stacking energy: -6.228 Base-Backbone interact. energy: -0.154 local terms energy: -20.470574 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -1.468 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: 1, replica: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -40.539952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.539952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.539952 (E_RNA) where: Base-Base interactions energy: -12.508 where: short stacking energy: -12.508 Base-Backbone interact. energy: 0.388 local terms energy: -28.420184 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -6.146 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: 2, replica: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -38.120953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.120953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.120953 (E_RNA) where: Base-Base interactions energy: -13.604 where: short stacking energy: -13.604 Base-Backbone interact. energy: -0.124 local terms energy: -24.392585 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -39.476034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.476034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.476034 (E_RNA) where: Base-Base interactions energy: -12.378 where: short stacking energy: -12.378 Base-Backbone interact. energy: -0.004 local terms energy: -27.093721 where: bonds (distance) C4'-P energy: -5.023 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -3.380 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: 8 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -32.111436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.111436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.111436 (E_RNA) where: Base-Base interactions energy: -7.490 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.065 local terms energy: -24.556333 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -3.649 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: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -39.580994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.580994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.580994 (E_RNA) where: Base-Base interactions energy: -11.573 where: short stacking energy: -11.573 Base-Backbone interact. energy: -0.000 local terms energy: -28.007439 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -3.278 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: 6, replica: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -30.986551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.986551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.986551 (E_RNA) where: Base-Base interactions energy: -6.731 where: short stacking energy: -6.731 Base-Backbone interact. energy: -0.047 local terms energy: -24.208771 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -32.209756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.209756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.209756 (E_RNA) where: Base-Base interactions energy: -9.368 where: short stacking energy: -9.368 Base-Backbone interact. energy: -0.001 local terms energy: -22.840697 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -32.888357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.888357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.888357 (E_RNA) where: Base-Base interactions energy: -4.408 where: short stacking energy: -3.445 Base-Backbone interact. energy: -0.000 local terms energy: -28.480461 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -29.196359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.196359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.196359 (E_RNA) where: Base-Base interactions energy: -6.843 where: short stacking energy: -6.843 Base-Backbone interact. energy: -0.000 local terms energy: -22.353490 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -4.768 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: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -29.296037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.296037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.296037 (E_RNA) where: Base-Base interactions energy: -5.771 where: short stacking energy: -5.771 Base-Backbone interact. energy: -0.000 local terms energy: -23.525119 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -4.454 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: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -39.133996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.133996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.133996 (E_RNA) where: Base-Base interactions energy: -14.763 where: short stacking energy: -14.763 Base-Backbone interact. energy: -0.003 local terms energy: -24.367693 where: bonds (distance) C4'-P energy: -5.441 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -2.759 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: 2, replica: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -35.131736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.131736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.131736 (E_RNA) where: Base-Base interactions energy: -9.352 where: short stacking energy: -9.352 Base-Backbone interact. energy: -0.052 local terms energy: -25.727787 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.395 flat angles P-C4'-P energy: -1.207 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -43.260736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.260736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.260736 (E_RNA) where: Base-Base interactions energy: -11.841 where: short stacking energy: -11.841 Base-Backbone interact. energy: -0.000 local terms energy: -31.419546 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -6.008 tors. eta vs tors. theta energy: -6.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -34.340785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.340785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.340785 (E_RNA) where: Base-Base interactions energy: -9.816 where: short stacking energy: -9.791 Base-Backbone interact. energy: -0.128 local terms energy: -24.396024 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -3.670 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: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -30.636027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.636027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.636027 (E_RNA) where: Base-Base interactions energy: -4.841 where: short stacking energy: -3.949 Base-Backbone interact. energy: -0.227 local terms energy: -25.568224 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -6.062 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: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -28.971990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.971990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.971990 (E_RNA) where: Base-Base interactions energy: -6.485 where: short stacking energy: -6.485 Base-Backbone interact. energy: -1.054 local terms energy: -21.432778 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -4.844 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: 7, replica: 9 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -30.349344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.349344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.349344 (E_RNA) where: Base-Base interactions energy: -6.377 where: short stacking energy: -6.377 Base-Backbone interact. energy: -0.090 local terms energy: -23.882355 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -4.527 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: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -36.235665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.235665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.235665 (E_RNA) where: Base-Base interactions energy: -13.231 where: short stacking energy: -13.231 Base-Backbone interact. energy: -0.001 local terms energy: -23.004236 where: bonds (distance) C4'-P energy: -3.000 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -27.317803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.317803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.317803 (E_RNA) where: Base-Base interactions energy: -6.352 where: short stacking energy: -6.352 Base-Backbone interact. energy: -0.035 local terms energy: -20.931568 where: bonds (distance) C4'-P energy: -5.271 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -4.626 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: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -31.445771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.445771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.445771 (E_RNA) where: Base-Base interactions energy: -13.690 where: short stacking energy: -13.690 Base-Backbone interact. energy: -0.000 local terms energy: -17.756121 where: bonds (distance) C4'-P energy: -4.974 bonds (distance) P-C4' energy: -4.348 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -0.416 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: 1, replica: 10 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -37.892681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.892681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.892681 (E_RNA) where: Base-Base interactions energy: -11.283 where: short stacking energy: -10.257 Base-Backbone interact. energy: -0.123 local terms energy: -26.486352 where: bonds (distance) C4'-P energy: -5.421 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -4.882 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: 2, replica: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -34.354066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.354066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.354066 (E_RNA) where: Base-Base interactions energy: -4.777 where: short stacking energy: -4.777 Base-Backbone interact. energy: -0.003 local terms energy: -29.574694 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -36.259109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.259109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.259109 (E_RNA) where: Base-Base interactions energy: -10.752 where: short stacking energy: -10.752 Base-Backbone interact. energy: -0.010 local terms energy: -25.497029 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -3.826 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: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -36.565669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.565669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.565669 (E_RNA) where: Base-Base interactions energy: -9.887 where: short stacking energy: -9.887 Base-Backbone interact. energy: -0.251 local terms energy: -26.427601 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.218 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: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -35.391547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.391547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.391547 (E_RNA) where: Base-Base interactions energy: -9.830 where: short stacking energy: -9.830 Base-Backbone interact. energy: -0.130 local terms energy: -25.431396 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -3.919 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: 6, replica: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -31.548740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.548740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.548740 (E_RNA) where: Base-Base interactions energy: -4.369 where: short stacking energy: -2.920 Base-Backbone interact. energy: -0.169 local terms energy: -27.010308 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -27.586159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.586159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.586159 (E_RNA) where: Base-Base interactions energy: -4.688 where: short stacking energy: -4.688 Base-Backbone interact. energy: -0.015 local terms energy: -22.883495 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -4.424 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: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -29.380308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.380308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.380308 (E_RNA) where: Base-Base interactions energy: -9.123 where: short stacking energy: -9.123 Base-Backbone interact. energy: -0.029 local terms energy: -20.228225 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.416 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -31.363020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.363020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.363020 (E_RNA) where: Base-Base interactions energy: -7.237 where: short stacking energy: -7.237 Base-Backbone interact. energy: 0.129 local terms energy: -24.254750 where: bonds (distance) C4'-P energy: -5.425 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -33.182692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.182692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.182692 (E_RNA) where: Base-Base interactions energy: -8.897 where: short stacking energy: -8.897 Base-Backbone interact. energy: -0.015 local terms energy: -24.270827 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -5.028 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -3.853 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: 1, replica: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -36.990357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.990357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.990357 (E_RNA) where: Base-Base interactions energy: -10.456 where: short stacking energy: -10.456 Base-Backbone interact. energy: 0.180 local terms energy: -26.714713 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -41.665751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.665751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.665751 (E_RNA) where: Base-Base interactions energy: -16.384 where: short stacking energy: -16.384 Base-Backbone interact. energy: -0.002 local terms energy: -25.280286 where: bonds (distance) C4'-P energy: -5.102 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -3.770 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: 3, replica: 7 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -36.227624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.227624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.227624 (E_RNA) where: Base-Base interactions energy: -10.184 where: short stacking energy: -10.184 Base-Backbone interact. energy: -0.000 local terms energy: -26.043188 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -1.906 tors. eta vs tors. theta energy: -6.904 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: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -37.040969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.040969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.040969 (E_RNA) where: Base-Base interactions energy: -11.879 where: short stacking energy: -11.879 Base-Backbone interact. energy: -0.002 local terms energy: -25.159989 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -2.279 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: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -30.022702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.022702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.022702 (E_RNA) where: Base-Base interactions energy: -7.329 where: short stacking energy: -7.329 Base-Backbone interact. energy: 0.442 local terms energy: -23.135529 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.898 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: 6, replica: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -28.676198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.676198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.676198 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.358 Base-Backbone interact. energy: -0.159 local terms energy: -17.259585 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -3.580 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: 7, replica: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -31.196191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.196191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.196191 (E_RNA) where: Base-Base interactions energy: -2.927 where: short stacking energy: -2.927 Base-Backbone interact. energy: -0.002 local terms energy: -28.267462 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -31.572701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.572701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.572701 (E_RNA) where: Base-Base interactions energy: -8.435 where: short stacking energy: -8.435 Base-Backbone interact. energy: -0.000 local terms energy: -23.137499 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -2.772 tors. eta vs tors. theta energy: -1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -29.722442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.722442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.722442 (E_RNA) where: Base-Base interactions energy: -8.816 where: short stacking energy: -8.816 Base-Backbone interact. energy: -0.068 local terms energy: -20.838226 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -1.589 flat angles P-C4'-P energy: -4.379 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: 10, replica: 2 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -35.877700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.877700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.877700 (E_RNA) where: Base-Base interactions energy: -9.343 where: short stacking energy: -9.343 Base-Backbone interact. energy: -0.070 local terms energy: -26.464045 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -5.249 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: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -45.034165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.034165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.034165 (E_RNA) where: Base-Base interactions energy: -14.684 where: short stacking energy: -14.684 Base-Backbone interact. energy: -0.000 local terms energy: -30.350240 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -5.582 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: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -40.570741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.570741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.570741 (E_RNA) where: Base-Base interactions energy: -12.921 where: short stacking energy: -12.921 Base-Backbone interact. energy: -0.001 local terms energy: -27.649266 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -3.559 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: 3, replica: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -33.104229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.104229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.104229 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.212 Base-Backbone interact. energy: -0.294 local terms energy: -24.990287 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -4.554 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: 4, replica: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -37.670576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.670576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.670576 (E_RNA) where: Base-Base interactions energy: -13.998 where: short stacking energy: -13.998 Base-Backbone interact. energy: -0.002 local terms energy: -23.670461 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -4.007 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -38.952863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.952863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.952863 (E_RNA) where: Base-Base interactions energy: -11.954 where: short stacking energy: -11.954 Base-Backbone interact. energy: -0.000 local terms energy: -26.998617 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -3.173 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -5.835 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: 50 Temperature: 1.150000 Total energy: -31.718071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.718071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.718071 (E_RNA) where: Base-Base interactions energy: -6.729 where: short stacking energy: -6.729 Base-Backbone interact. energy: -0.041 local terms energy: -24.947941 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -4.907 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: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -29.551193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.551193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.551193 (E_RNA) where: Base-Base interactions energy: -8.520 where: short stacking energy: -8.520 Base-Backbone interact. energy: -0.096 local terms energy: -20.935174 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -1.814 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: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -29.725637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.725637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.725637 (E_RNA) where: Base-Base interactions energy: -8.662 where: short stacking energy: -8.662 Base-Backbone interact. energy: -0.018 local terms energy: -21.045337 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -5.690 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: 9, replica: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -28.613526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.613526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.613526 (E_RNA) where: Base-Base interactions energy: -6.472 where: short stacking energy: -6.472 Base-Backbone interact. energy: -0.040 local terms energy: -22.101696 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -2.934 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: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -28.064160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.064160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.064160 (E_RNA) where: Base-Base interactions energy: -6.103 where: short stacking energy: -6.103 Base-Backbone interact. energy: -0.000 local terms energy: -21.960751 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.623 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: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -42.321455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.321455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.321455 (E_RNA) where: Base-Base interactions energy: -14.414 where: short stacking energy: -14.414 Base-Backbone interact. energy: -0.178 local terms energy: -27.729887 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -42.553940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.553940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.553940 (E_RNA) where: Base-Base interactions energy: -15.457 where: short stacking energy: -15.457 Base-Backbone interact. energy: -1.179 local terms energy: -25.918568 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -5.042 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -4.940 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: 3, replica: 10 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -33.439450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.439450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.439450 (E_RNA) where: Base-Base interactions energy: -10.349 where: short stacking energy: -10.349 Base-Backbone interact. energy: -0.027 local terms energy: -23.063243 where: bonds (distance) C4'-P energy: -5.815 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.236 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: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -36.474233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.474233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.474233 (E_RNA) where: Base-Base interactions energy: -10.267 where: short stacking energy: -10.267 Base-Backbone interact. energy: -0.000 local terms energy: -26.207584 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -3.515 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: 5, replica: 7 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -34.031430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.031430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.031430 (E_RNA) where: Base-Base interactions energy: -7.275 where: short stacking energy: -7.275 Base-Backbone interact. energy: -0.092 local terms energy: -26.664408 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -2.684 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -35.734468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.734468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.734468 (E_RNA) where: Base-Base interactions energy: -9.422 where: short stacking energy: -9.422 Base-Backbone interact. energy: -0.001 local terms energy: -26.311662 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -4.019 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -3.813 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: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -34.820439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.820439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.820439 (E_RNA) where: Base-Base interactions energy: -12.018 where: short stacking energy: -12.018 Base-Backbone interact. energy: -0.000 local terms energy: -22.802789 where: bonds (distance) C4'-P energy: -1.912 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -30.621832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.621832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.621832 (E_RNA) where: Base-Base interactions energy: -9.544 where: short stacking energy: -9.544 Base-Backbone interact. energy: -0.000 local terms energy: -21.077765 where: bonds (distance) C4'-P energy: -1.977 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -4.627 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: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -40.969428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.969428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.969428 (E_RNA) where: Base-Base interactions energy: -10.788 where: short stacking energy: -10.788 Base-Backbone interact. energy: -0.000 local terms energy: -30.181505 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -1.972 tors. eta vs tors. theta energy: -8.177 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: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -26.985219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.985219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.985219 (E_RNA) where: Base-Base interactions energy: -6.240 where: short stacking energy: -4.698 Base-Backbone interact. energy: -0.034 local terms energy: -20.710546 where: bonds (distance) C4'-P energy: -3.464 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -0.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -34.339433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.339433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.339433 (E_RNA) where: Base-Base interactions energy: -11.430 where: short stacking energy: -11.430 Base-Backbone interact. energy: -0.041 local terms energy: -22.869247 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -1.754 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -35.467868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.467868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.467868 (E_RNA) where: Base-Base interactions energy: -6.050 where: short stacking energy: -5.858 Base-Backbone interact. energy: -0.002 local terms energy: -29.416273 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -4.532 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: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -41.865606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.865606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.865606 (E_RNA) where: Base-Base interactions energy: -16.044 where: short stacking energy: -14.386 Base-Backbone interact. energy: -0.001 local terms energy: -25.820284 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -5.091 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: 4, replica: 10 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -31.997364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.997364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.997364 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.001 local terms energy: -24.299263 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -3.289 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: 5, replica: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -36.043306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.043306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.043306 (E_RNA) where: Base-Base interactions energy: -12.028 where: short stacking energy: -11.153 Base-Backbone interact. energy: -0.500 local terms energy: -23.515934 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -28.430667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.430667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.430667 (E_RNA) where: Base-Base interactions energy: -8.319 where: short stacking energy: -8.319 Base-Backbone interact. energy: -0.179 local terms energy: -19.932445 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -5.016 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: 7, replica: 2 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -34.607642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.607642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.607642 (E_RNA) where: Base-Base interactions energy: -7.827 where: short stacking energy: -7.827 Base-Backbone interact. energy: -0.032 local terms energy: -26.748718 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -29.098881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.098881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.098881 (E_RNA) where: Base-Base interactions energy: -7.887 where: short stacking energy: -7.887 Base-Backbone interact. energy: -0.195 local terms energy: -21.016436 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: -5.032 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: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -31.002994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.002994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.002994 (E_RNA) where: Base-Base interactions energy: -7.763 where: short stacking energy: -7.763 Base-Backbone interact. energy: -0.012 local terms energy: -23.228356 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -2.872 flat angles P-C4'-P energy: -5.548 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: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -33.259013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.259013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.259013 (E_RNA) where: Base-Base interactions energy: -9.692 where: short stacking energy: -9.692 Base-Backbone interact. energy: -0.003 local terms energy: -23.564529 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -4.385 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: 6 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -39.285896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.285896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.285896 (E_RNA) where: Base-Base interactions energy: -11.551 where: short stacking energy: -11.551 Base-Backbone interact. energy: -0.008 local terms energy: -27.727788 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -32.722477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.722477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.722477 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: -0.167 local terms energy: -24.639884 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -5.136 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: 3, replica: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -35.368820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.368820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.368820 (E_RNA) where: Base-Base interactions energy: -10.607 where: short stacking energy: -9.669 Base-Backbone interact. energy: -0.002 local terms energy: -24.758891 where: bonds (distance) C4'-P energy: -6.005 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -3.282 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: 4, replica: 7 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -38.285554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.285554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.285554 (E_RNA) where: Base-Base interactions energy: -11.558 where: short stacking energy: -11.435 Base-Backbone interact. energy: -0.060 local terms energy: -26.667409 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -6.700 flat angles P-C4'-P energy: -5.213 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: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -30.786135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.786135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.786135 (E_RNA) where: Base-Base interactions energy: -5.820 where: short stacking energy: -4.162 Base-Backbone interact. energy: -0.121 local terms energy: -24.844640 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -4.667 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -5.245 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: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -30.962434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.962434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.962434 (E_RNA) where: Base-Base interactions energy: -6.948 where: short stacking energy: -6.948 Base-Backbone interact. energy: -0.001 local terms energy: -24.013317 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.503 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: 53 Temperature: 1.200000 Total energy: -31.481542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.481542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.481542 (E_RNA) where: Base-Base interactions energy: -6.985 where: short stacking energy: -6.985 Base-Backbone interact. energy: -0.017 local terms energy: -24.479769 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -4.166 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: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -30.205464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.205464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.205464 (E_RNA) where: Base-Base interactions energy: -9.630 where: short stacking energy: -9.630 Base-Backbone interact. energy: -0.018 local terms energy: -20.557201 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -1.798 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: 4 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -31.641529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.641529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.641529 (E_RNA) where: Base-Base interactions energy: -5.284 where: short stacking energy: -5.284 Base-Backbone interact. energy: -0.000 local terms energy: -26.357407 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -29.444325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.444325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.444325 (E_RNA) where: Base-Base interactions energy: -8.161 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.016 local terms energy: -21.267727 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -4.711 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: 1, replica: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -36.588571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.588571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.588571 (E_RNA) where: Base-Base interactions energy: -10.075 where: short stacking energy: -10.075 Base-Backbone interact. energy: -0.000 local terms energy: -26.513256 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -5.098 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: 2, replica: 6 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -34.937165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.937165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.937165 (E_RNA) where: Base-Base interactions energy: -10.759 where: short stacking energy: -10.759 Base-Backbone interact. energy: -0.002 local terms energy: -24.176093 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -32.466274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.466274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.466274 (E_RNA) where: Base-Base interactions energy: -7.817 where: short stacking energy: -7.674 Base-Backbone interact. energy: -0.025 local terms energy: -24.625016 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -0.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -32.196239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.196239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.196239 (E_RNA) where: Base-Base interactions energy: -5.821 where: short stacking energy: -5.821 Base-Backbone interact. energy: -0.009 local terms energy: -26.366896 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.769 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -34.798415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.798415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.798415 (E_RNA) where: Base-Base interactions energy: -8.567 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.000 local terms energy: -26.231359 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -4.671 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: 10 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -34.755787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.755787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.755787 (E_RNA) where: Base-Base interactions energy: -9.515 where: short stacking energy: -9.515 Base-Backbone interact. energy: -0.000 local terms energy: -25.240843 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -2.056 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: 7, replica: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -29.663353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.663353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.663353 (E_RNA) where: Base-Base interactions energy: -6.546 where: short stacking energy: -6.546 Base-Backbone interact. energy: -0.071 local terms energy: -23.045647 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: 0.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -33.802928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.802928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.802928 (E_RNA) where: Base-Base interactions energy: -6.635 where: short stacking energy: -6.635 Base-Backbone interact. energy: -0.015 local terms energy: -27.152838 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -5.605 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: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -33.709478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.709478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.709478 (E_RNA) where: Base-Base interactions energy: -7.453 where: short stacking energy: -7.453 Base-Backbone interact. energy: -0.041 local terms energy: -26.216053 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -35.339950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.339950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.339950 (E_RNA) where: Base-Base interactions energy: -11.743 where: short stacking energy: -11.743 Base-Backbone interact. energy: -0.018 local terms energy: -23.578819 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -38.556439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.556439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.556439 (E_RNA) where: Base-Base interactions energy: -8.178 where: short stacking energy: -8.178 Base-Backbone interact. energy: -0.000 local terms energy: -30.378321 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -2.139 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: 2, replica: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -33.496546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.496546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.496546 (E_RNA) where: Base-Base interactions energy: -7.838 where: short stacking energy: -7.838 Base-Backbone interact. energy: -0.002 local terms energy: -25.656557 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.962 flat angles P-C4'-P energy: -2.664 tors. eta vs tors. theta energy: -2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -39.872116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.872116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.872116 (E_RNA) where: Base-Base interactions energy: -14.452 where: short stacking energy: -14.452 Base-Backbone interact. energy: -0.000 local terms energy: -25.420587 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -3.787 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: 4, replica: 2 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -41.117252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.117252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.117252 (E_RNA) where: Base-Base interactions energy: -12.263 where: short stacking energy: -12.263 Base-Backbone interact. energy: -0.000 local terms energy: -28.854179 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.823 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -4.681 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: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -32.564024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.564024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.564024 (E_RNA) where: Base-Base interactions energy: -7.904 where: short stacking energy: -7.904 Base-Backbone interact. energy: 0.343 local terms energy: -25.002156 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: 0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -28.050413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.050413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.050413 (E_RNA) where: Base-Base interactions energy: -6.642 where: short stacking energy: -6.642 Base-Backbone interact. energy: -0.021 local terms energy: -21.388389 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -4.704 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: 7, replica: 10 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -29.582439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.582439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.582439 (E_RNA) where: Base-Base interactions energy: -9.086 where: short stacking energy: -9.086 Base-Backbone interact. energy: -0.007 local terms energy: -20.489541 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -0.167 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: 8, replica: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -30.933305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.933305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.933305 (E_RNA) where: Base-Base interactions energy: -6.490 where: short stacking energy: -6.490 Base-Backbone interact. energy: -0.032 local terms energy: -24.411082 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -6.517 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: 9, replica: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -29.148718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.148718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.148718 (E_RNA) where: Base-Base interactions energy: -6.255 where: short stacking energy: -6.255 Base-Backbone interact. energy: -0.158 local terms energy: -22.735926 where: bonds (distance) C4'-P energy: -4.672 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -28.387960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.387960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.387960 (E_RNA) where: Base-Base interactions energy: -5.675 where: short stacking energy: -5.675 Base-Backbone interact. energy: -0.090 local terms energy: -22.623268 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -1.434 tors. eta vs tors. theta energy: -1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -39.832266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.832266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.832266 (E_RNA) where: Base-Base interactions energy: -15.318 where: short stacking energy: -15.318 Base-Backbone interact. energy: -0.000 local terms energy: -24.514327 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -1.803 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -36.477629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.477629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.477629 (E_RNA) where: Base-Base interactions energy: -11.040 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.029 local terms energy: -25.408231 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.199 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -5.327 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: 56 Temperature: 1.000000 Total energy: -39.361795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.361795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.361795 (E_RNA) where: Base-Base interactions energy: -12.781 where: short stacking energy: -12.781 Base-Backbone interact. energy: -0.000 local terms energy: -26.580725 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -33.849116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.849116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.849116 (E_RNA) where: Base-Base interactions energy: -7.557 where: short stacking energy: -7.557 Base-Backbone interact. energy: -0.007 local terms energy: -26.284913 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -4.356 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: 5, replica: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -32.040430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.040430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.040430 (E_RNA) where: Base-Base interactions energy: -7.110 where: short stacking energy: -7.110 Base-Backbone interact. energy: -0.061 local terms energy: -24.870113 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -5.708 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: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -32.258857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.258857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.258857 (E_RNA) where: Base-Base interactions energy: -5.817 where: short stacking energy: -5.817 Base-Backbone interact. energy: -0.015 local terms energy: -26.426750 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -2.639 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -32.603655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.603655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.603655 (E_RNA) where: Base-Base interactions energy: -11.182 where: short stacking energy: -11.182 Base-Backbone interact. energy: -0.001 local terms energy: -21.420725 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -2.614 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: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -31.150224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.150224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.150224 (E_RNA) where: Base-Base interactions energy: -10.952 where: short stacking energy: -10.952 Base-Backbone interact. energy: -0.071 local terms energy: -20.126853 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -2.293 flat angles P-C4'-P energy: -3.686 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: 9, replica: 4 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -26.022843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.022843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.022843 (E_RNA) where: Base-Base interactions energy: -5.481 where: short stacking energy: -5.167 Base-Backbone interact. energy: -0.065 local terms energy: -20.477018 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: 0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -27.225321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.225321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.225321 (E_RNA) where: Base-Base interactions energy: -3.842 where: short stacking energy: -3.842 Base-Backbone interact. energy: -0.003 local terms energy: -23.381208 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -45.689645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.689645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.689645 (E_RNA) where: Base-Base interactions energy: -14.029 where: short stacking energy: -14.029 Base-Backbone interact. energy: -0.000 local terms energy: -31.660567 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -6.366 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -35.249014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.249014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.249014 (E_RNA) where: Base-Base interactions energy: -13.082 where: short stacking energy: -13.082 Base-Backbone interact. energy: -0.136 local terms energy: -22.031296 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -2.232 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: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -37.084741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.084741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.084741 (E_RNA) where: Base-Base interactions energy: -14.363 where: short stacking energy: -14.363 Base-Backbone interact. energy: -0.009 local terms energy: -22.712808 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -0.849 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: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -35.851847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.851847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.851847 (E_RNA) where: Base-Base interactions energy: -8.111 where: short stacking energy: -8.111 Base-Backbone interact. energy: 1.004 local terms energy: -28.744688 where: bonds (distance) C4'-P energy: -5.911 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.932 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: 5, replica: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -37.931413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.931413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.931413 (E_RNA) where: Base-Base interactions energy: -12.502 where: short stacking energy: -12.502 Base-Backbone interact. energy: -0.000 local terms energy: -25.428891 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -3.932 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: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -30.498249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.498249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.498249 (E_RNA) where: Base-Base interactions energy: -7.539 where: short stacking energy: -7.539 Base-Backbone interact. energy: -0.145 local terms energy: -22.814992 where: bonds (distance) C4'-P energy: -4.291 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -35.177584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.177584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.177584 (E_RNA) where: Base-Base interactions energy: -9.043 where: short stacking energy: -9.043 Base-Backbone interact. energy: -0.074 local terms energy: -26.060239 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -36.303989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.303989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.303989 (E_RNA) where: Base-Base interactions energy: -8.394 where: short stacking energy: -8.394 Base-Backbone interact. energy: -0.000 local terms energy: -27.909958 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -4.427 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: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -33.232650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.232650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.232650 (E_RNA) where: Base-Base interactions energy: -12.222 where: short stacking energy: -12.222 Base-Backbone interact. energy: -0.002 local terms energy: -21.008664 where: bonds (distance) C4'-P energy: -4.684 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -2.774 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: 10, replica: 5 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -30.694225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.694225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.694225 (E_RNA) where: Base-Base interactions energy: -7.288 where: short stacking energy: -7.288 Base-Backbone interact. energy: -0.001 local terms energy: -23.405137 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -1.240 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: 58 Temperature: 0.900000 Total energy: -41.191962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.191962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.191962 (E_RNA) where: Base-Base interactions energy: -15.297 where: short stacking energy: -15.297 Base-Backbone interact. energy: -0.001 local terms energy: -25.894301 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -37.286946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.286946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.286946 (E_RNA) where: Base-Base interactions energy: -11.000 where: short stacking energy: -11.000 Base-Backbone interact. energy: -0.000 local terms energy: -26.286701 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.472 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -6.830 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: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -40.958172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.958172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.958172 (E_RNA) where: Base-Base interactions energy: -14.063 where: short stacking energy: -14.063 Base-Backbone interact. energy: -0.000 local terms energy: -26.894676 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -5.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -33.818737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.818737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.818737 (E_RNA) where: Base-Base interactions energy: -11.870 where: short stacking energy: -11.870 Base-Backbone interact. energy: -0.094 local terms energy: -21.854288 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -4.254 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: 5, replica: 9 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -39.404057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.404057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.404057 (E_RNA) where: Base-Base interactions energy: -14.579 where: short stacking energy: -14.579 Base-Backbone interact. energy: -0.060 local terms energy: -24.765136 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -3.915 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: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -30.610923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.610923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.610923 (E_RNA) where: Base-Base interactions energy: -7.345 where: short stacking energy: -6.329 Base-Backbone interact. energy: -0.001 local terms energy: -23.265464 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -4.808 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: 7, replica: 4 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -28.418740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.418740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.418740 (E_RNA) where: Base-Base interactions energy: -7.161 where: short stacking energy: -7.161 Base-Backbone interact. energy: -0.030 local terms energy: -21.227467 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -3.959 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: 8, replica: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -29.548163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.548163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.548163 (E_RNA) where: Base-Base interactions energy: -7.139 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.003 local terms energy: -22.405720 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -2.427 flat angles P-C4'-P energy: -4.460 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: 5 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -24.499900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.499900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.499900 (E_RNA) where: Base-Base interactions energy: -1.481 where: short stacking energy: -1.481 Base-Backbone interact. energy: -0.000 local terms energy: -23.018319 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.372 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -29.250432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.250432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.250432 (E_RNA) where: Base-Base interactions energy: -5.136 where: short stacking energy: -5.136 Base-Backbone interact. energy: -0.000 local terms energy: -24.114771 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -1.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -38.474394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.474394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.474394 (E_RNA) where: Base-Base interactions energy: -13.824 where: short stacking energy: -13.824 Base-Backbone interact. energy: -0.167 local terms energy: -24.483638 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -1.592 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -37.557454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.557454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.557454 (E_RNA) where: Base-Base interactions energy: -11.852 where: short stacking energy: -11.852 Base-Backbone interact. energy: -0.035 local terms energy: -25.669545 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -4.706 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: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -41.926869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.926869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.926869 (E_RNA) where: Base-Base interactions energy: -14.848 where: short stacking energy: -14.848 Base-Backbone interact. energy: -0.012 local terms energy: -27.066719 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -5.775 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: 4, replica: 9 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -30.018689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.018689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.018689 (E_RNA) where: Base-Base interactions energy: -6.959 where: short stacking energy: -6.959 Base-Backbone interact. energy: -0.017 local terms energy: -23.042436 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -35.976765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.976765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.976765 (E_RNA) where: Base-Base interactions energy: -8.245 where: short stacking energy: -6.934 Base-Backbone interact. energy: -0.522 local terms energy: -27.210134 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -3.954 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: 6, replica: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -38.929686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.929686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.929686 (E_RNA) where: Base-Base interactions energy: -6.877 where: short stacking energy: -6.877 Base-Backbone interact. energy: -0.000 local terms energy: -32.053004 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -6.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -33.629685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.629685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.629685 (E_RNA) where: Base-Base interactions energy: -6.075 where: short stacking energy: -6.075 Base-Backbone interact. energy: -0.000 local terms energy: -27.554703 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -33.985111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.985111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.985111 (E_RNA) where: Base-Base interactions energy: -11.281 where: short stacking energy: -11.281 Base-Backbone interact. energy: -0.000 local terms energy: -22.704081 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -3.919 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: 9, replica: 5 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -29.536157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.536157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.536157 (E_RNA) where: Base-Base interactions energy: -6.446 where: short stacking energy: -6.446 Base-Backbone interact. energy: -0.010 local terms energy: -23.080491 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: 0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -31.701451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.701451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.701451 (E_RNA) where: Base-Base interactions energy: -8.388 where: short stacking energy: -9.058 Base-Backbone interact. energy: -0.003 local terms energy: -23.310195 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -5.487 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -3.741 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: 1, replica: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -44.169269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.169269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.169269 (E_RNA) where: Base-Base interactions energy: -12.234 where: short stacking energy: -12.234 Base-Backbone interact. energy: -0.000 local terms energy: -31.935315 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.218 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -7.282 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: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -41.376530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.376530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.376530 (E_RNA) where: Base-Base interactions energy: -13.834 where: short stacking energy: -13.834 Base-Backbone interact. energy: -0.042 local terms energy: -27.500394 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -4.802 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: 3, replica: 9 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -37.157898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.157898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.157898 (E_RNA) where: Base-Base interactions energy: -6.266 where: short stacking energy: -6.266 Base-Backbone interact. energy: -0.000 local terms energy: -30.891823 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -6.079 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -6.117 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: 4, replica: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -34.702721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.702721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.702721 (E_RNA) where: Base-Base interactions energy: -11.240 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.007 local terms energy: -23.454980 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -39.867984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.867984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.867984 (E_RNA) where: Base-Base interactions energy: -11.804 where: short stacking energy: -9.885 Base-Backbone interact. energy: -1.446 local terms energy: -26.618186 where: bonds (distance) C4'-P energy: -3.740 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -6.115 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: 6, replica: 7 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -34.355425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.355425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.355425 (E_RNA) where: Base-Base interactions energy: -12.159 where: short stacking energy: -12.159 Base-Backbone interact. energy: -0.000 local terms energy: -22.195836 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -4.510 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: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -30.221009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.221009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.221009 (E_RNA) where: Base-Base interactions energy: -8.371 where: short stacking energy: -8.371 Base-Backbone interact. energy: -0.034 local terms energy: -21.816165 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -0.497 tors. eta vs tors. theta energy: -1.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -26.850163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.850163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.850163 (E_RNA) where: Base-Base interactions energy: -3.782 where: short stacking energy: -3.782 Base-Backbone interact. energy: -0.000 local terms energy: -23.068334 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -3.539 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: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -32.056983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.056983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.056983 (E_RNA) where: Base-Base interactions energy: -10.996 where: short stacking energy: -10.996 Base-Backbone interact. energy: -0.047 local terms energy: -21.013301 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.478 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: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -27.743702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.743702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.743702 (E_RNA) where: Base-Base interactions energy: -4.651 where: short stacking energy: -4.651 Base-Backbone interact. energy: -0.004 local terms energy: -23.088706 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -6.092 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: 1, replica: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -36.547702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.547702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.547702 (E_RNA) where: Base-Base interactions energy: -10.321 where: short stacking energy: -10.321 Base-Backbone interact. energy: 0.125 local terms energy: -26.351677 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -37.386707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.386707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.386707 (E_RNA) where: Base-Base interactions energy: -11.286 where: short stacking energy: -11.286 Base-Backbone interact. energy: -0.841 local terms energy: -25.259049 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -4.199 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: 2 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -35.593758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.593758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.593758 (E_RNA) where: Base-Base interactions energy: -10.728 where: short stacking energy: -10.728 Base-Backbone interact. energy: -0.000 local terms energy: -24.865423 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -4.272 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -4.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -36.456283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456283 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -12.201 Base-Backbone interact. energy: -0.000 local terms energy: -24.255669 where: bonds (distance) C4'-P energy: -4.672 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -36.890633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.890633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.890633 (E_RNA) where: Base-Base interactions energy: -9.584 where: short stacking energy: -9.584 Base-Backbone interact. energy: -0.057 local terms energy: -27.249148 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -2.530 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -5.517 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: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -29.201047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.201047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.201047 (E_RNA) where: Base-Base interactions energy: -5.850 where: short stacking energy: -5.850 Base-Backbone interact. energy: -0.027 local terms energy: -23.323869 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -3.301 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: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -31.941464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.941464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.941464 (E_RNA) where: Base-Base interactions energy: -7.523 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.057 local terms energy: -24.361978 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -2.981 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: 8, replica: 10 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -27.861455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.861455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.861455 (E_RNA) where: Base-Base interactions energy: -7.241 where: short stacking energy: -7.241 Base-Backbone interact. energy: 0.011 local terms energy: -20.631832 where: bonds (distance) C4'-P energy: -2.092 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -5.412 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: 3 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -31.123386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.123386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.123386 (E_RNA) where: Base-Base interactions energy: -8.474 where: short stacking energy: -8.474 Base-Backbone interact. energy: -0.236 local terms energy: -22.413485 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -2.827 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: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -29.897136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.897136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.897136 (E_RNA) where: Base-Base interactions energy: -5.201 where: short stacking energy: -5.201 Base-Backbone interact. energy: -0.038 local terms energy: -24.657811 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -39.458383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.458383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.458383 (E_RNA) where: Base-Base interactions energy: -14.191 where: short stacking energy: -14.191 Base-Backbone interact. energy: -0.089 local terms energy: -25.178888 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -34.311970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.311970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.311970 (E_RNA) where: Base-Base interactions energy: -7.523 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.043 local terms energy: -26.745842 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -37.560355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.560355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.560355 (E_RNA) where: Base-Base interactions energy: -11.530 where: short stacking energy: -11.530 Base-Backbone interact. energy: 0.262 local terms energy: -26.293193 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.728 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -4.838 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: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -36.747449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.747449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.747449 (E_RNA) where: Base-Base interactions energy: -8.950 where: short stacking energy: -8.950 Base-Backbone interact. energy: -0.000 local terms energy: -27.797169 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -31.983162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.983162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.983162 (E_RNA) where: Base-Base interactions energy: -6.991 where: short stacking energy: -6.991 Base-Backbone interact. energy: -0.039 local terms energy: -24.952847 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -31.125023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.125023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.125023 (E_RNA) where: Base-Base interactions energy: -6.762 where: short stacking energy: -6.762 Base-Backbone interact. energy: -0.000 local terms energy: -24.362635 where: bonds (distance) C4'-P energy: -4.758 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -28.429887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.429887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.429887 (E_RNA) where: Base-Base interactions energy: -7.433 where: short stacking energy: -7.433 Base-Backbone interact. energy: -0.136 local terms energy: -20.860439 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -2.528 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: 0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -29.958749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.958749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.958749 (E_RNA) where: Base-Base interactions energy: -7.154 where: short stacking energy: -7.154 Base-Backbone interact. energy: -0.100 local terms energy: -22.703876 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -5.755 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: 5 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -29.317210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.317210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.317210 (E_RNA) where: Base-Base interactions energy: -8.061 where: short stacking energy: -8.061 Base-Backbone interact. energy: -0.180 local terms energy: -21.076225 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -2.437 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: 62 Temperature: 1.350000 Total energy: -28.863318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.863318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.863318 (E_RNA) where: Base-Base interactions energy: -9.820 where: short stacking energy: -9.820 Base-Backbone interact. energy: -0.002 local terms energy: -19.041616 where: bonds (distance) C4'-P energy: -2.817 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -2.524 flat angles P-C4'-P energy: -5.748 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: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -43.520989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.520989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.520989 (E_RNA) where: Base-Base interactions energy: -15.535 where: short stacking energy: -15.535 Base-Backbone interact. energy: -0.000 local terms energy: -27.985867 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -5.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -38.408436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.408436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.408436 (E_RNA) where: Base-Base interactions energy: -10.666 where: short stacking energy: -10.666 Base-Backbone interact. energy: -0.000 local terms energy: -27.742449 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -4.390 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: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -34.902151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.902151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.902151 (E_RNA) where: Base-Base interactions energy: -8.614 where: short stacking energy: -8.814 Base-Backbone interact. energy: -0.026 local terms energy: -26.262114 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -5.026 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: 4, replica: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -33.357469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.357469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.357469 (E_RNA) where: Base-Base interactions energy: -9.504 where: short stacking energy: -9.504 Base-Backbone interact. energy: -0.000 local terms energy: -23.853572 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -3.175 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: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -33.455986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.455986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.455986 (E_RNA) where: Base-Base interactions energy: -7.744 where: short stacking energy: -7.744 Base-Backbone interact. energy: -0.031 local terms energy: -25.680592 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -33.060517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.060517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.060517 (E_RNA) where: Base-Base interactions energy: -4.600 where: short stacking energy: -4.600 Base-Backbone interact. energy: -0.000 local terms energy: -28.460164 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -5.227 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: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -31.281225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.281225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.281225 (E_RNA) where: Base-Base interactions energy: -9.442 where: short stacking energy: -9.442 Base-Backbone interact. energy: -0.061 local terms energy: -21.777911 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -3.344 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: 8, replica: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -28.782543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.782543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.782543 (E_RNA) where: Base-Base interactions energy: -9.530 where: short stacking energy: -9.530 Base-Backbone interact. energy: -0.092 local terms energy: -19.160136 where: bonds (distance) C4'-P energy: -4.469 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -1.976 tors. eta vs tors. theta energy: -0.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -27.597706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.597706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.597706 (E_RNA) where: Base-Base interactions energy: -2.895 where: short stacking energy: -2.895 Base-Backbone interact. energy: -0.015 local terms energy: -24.687829 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -2.861 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: 10, replica: 3 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -25.206512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.206512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.206512 (E_RNA) where: Base-Base interactions energy: -3.703 where: short stacking energy: -3.703 Base-Backbone interact. energy: -0.269 local terms energy: -21.234435 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -3.426 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: 4 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -39.925078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.925078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.925078 (E_RNA) where: Base-Base interactions energy: -14.785 where: short stacking energy: -14.785 Base-Backbone interact. energy: -0.022 local terms energy: -25.118185 where: bonds (distance) C4'-P energy: -6.237 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -1.782 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -34.683909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.683909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.683909 (E_RNA) where: Base-Base interactions energy: -8.283 where: short stacking energy: -8.283 Base-Backbone interact. energy: 0.113 local terms energy: -26.514013 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -4.456 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: 3, replica: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -35.345437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.345437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.345437 (E_RNA) where: Base-Base interactions energy: -9.437 where: short stacking energy: -9.437 Base-Backbone interact. energy: -0.061 local terms energy: -25.847769 where: bonds (distance) C4'-P energy: -4.916 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -38.564660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.564660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.564660 (E_RNA) where: Base-Base interactions energy: -9.440 where: short stacking energy: -9.440 Base-Backbone interact. energy: -0.083 local terms energy: -29.041495 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -33.425037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.425037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.425037 (E_RNA) where: Base-Base interactions energy: -8.019 where: short stacking energy: -8.019 Base-Backbone interact. energy: -0.077 local terms energy: -25.328923 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -31.871492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.871492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.871492 (E_RNA) where: Base-Base interactions energy: -8.841 where: short stacking energy: -8.841 Base-Backbone interact. energy: -0.033 local terms energy: -22.997356 where: bonds (distance) C4'-P energy: -2.491 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -4.757 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: 7, replica: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -28.383942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.383942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.383942 (E_RNA) where: Base-Base interactions energy: -8.205 where: short stacking energy: -8.205 Base-Backbone interact. energy: -0.117 local terms energy: -20.061773 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.933 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: 8, replica: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -30.711587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.711587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.711587 (E_RNA) where: Base-Base interactions energy: -5.164 where: short stacking energy: -5.164 Base-Backbone interact. energy: -0.000 local terms energy: -25.547209 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -30.287851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.287851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.287851 (E_RNA) where: Base-Base interactions energy: -3.666 where: short stacking energy: -3.666 Base-Backbone interact. energy: -0.001 local terms energy: -26.620824 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -4.690 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: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -31.848988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.848988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.848988 (E_RNA) where: Base-Base interactions energy: -8.949 where: short stacking energy: -8.949 Base-Backbone interact. energy: -0.111 local terms energy: -22.788974 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -2.829 flat angles P-C4'-P energy: -5.375 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: 1, replica: 4 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -40.699714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.699714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.699714 (E_RNA) where: Base-Base interactions energy: -12.184 where: short stacking energy: -10.664 Base-Backbone interact. energy: -0.075 local terms energy: -28.441001 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -5.644 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: 2, replica: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -34.644571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.644571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.644571 (E_RNA) where: Base-Base interactions energy: -9.994 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.095 local terms energy: -24.554881 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -3.358 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: 3, replica: 9 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -38.429701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.429701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.429701 (E_RNA) where: Base-Base interactions energy: -12.552 where: short stacking energy: -12.552 Base-Backbone interact. energy: -0.000 local terms energy: -25.877892 where: bonds (distance) C4'-P energy: -3.976 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -5.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -35.922598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.922598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.922598 (E_RNA) where: Base-Base interactions energy: -9.090 where: short stacking energy: -9.090 Base-Backbone interact. energy: -0.000 local terms energy: -26.832329 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -31.015386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.015386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.015386 (E_RNA) where: Base-Base interactions energy: -8.591 where: short stacking energy: -8.591 Base-Backbone interact. energy: -0.005 local terms energy: -22.420177 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: 1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -29.531077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.531077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.531077 (E_RNA) where: Base-Base interactions energy: -7.055 where: short stacking energy: -7.055 Base-Backbone interact. energy: -0.068 local terms energy: -22.407403 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -4.114 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: 7, replica: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -29.509970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.509970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.509970 (E_RNA) where: Base-Base interactions energy: -7.023 where: short stacking energy: -7.023 Base-Backbone interact. energy: -0.053 local terms energy: -22.434200 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -3.126 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: 8, replica: 3 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -30.730188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.730188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.730188 (E_RNA) where: Base-Base interactions energy: -5.812 where: short stacking energy: -5.812 Base-Backbone interact. energy: -0.038 local terms energy: -24.880531 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -30.676666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.676666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.676666 (E_RNA) where: Base-Base interactions energy: -7.070 where: short stacking energy: -7.070 Base-Backbone interact. energy: -0.121 local terms energy: -23.485774 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -30.876859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.876859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.876859 (E_RNA) where: Base-Base interactions energy: -6.278 where: short stacking energy: -6.278 Base-Backbone interact. energy: -0.106 local terms energy: -24.493353 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -39.684844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.684844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.684844 (E_RNA) where: Base-Base interactions energy: -13.903 where: short stacking energy: -13.903 Base-Backbone interact. energy: -0.086 local terms energy: -25.695481 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -2.507 tors. eta vs tors. theta energy: -4.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -44.162147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.162147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.162147 (E_RNA) where: Base-Base interactions energy: -15.995 where: short stacking energy: -15.995 Base-Backbone interact. energy: -0.000 local terms energy: -28.166746 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -5.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -39.788719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.788719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.788719 (E_RNA) where: Base-Base interactions energy: -12.025 where: short stacking energy: -12.025 Base-Backbone interact. energy: -0.000 local terms energy: -27.762863 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -35.752461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.752461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.752461 (E_RNA) where: Base-Base interactions energy: -10.601 where: short stacking energy: -10.601 Base-Backbone interact. energy: -0.001 local terms energy: -25.151044 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -34.807032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.807032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.807032 (E_RNA) where: Base-Base interactions energy: -9.948 where: short stacking energy: -9.948 Base-Backbone interact. energy: -0.025 local terms energy: -24.834464 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.906 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -34.216987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.216987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.216987 (E_RNA) where: Base-Base interactions energy: -8.372 where: short stacking energy: -8.372 Base-Backbone interact. energy: -0.806 local terms energy: -25.039269 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -3.678 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -4.691 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: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -35.718496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.718496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.718496 (E_RNA) where: Base-Base interactions energy: -13.374 where: short stacking energy: -12.046 Base-Backbone interact. energy: 2.557 local terms energy: -24.901027 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -3.542 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: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -29.768451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.768451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.768451 (E_RNA) where: Base-Base interactions energy: -2.485 where: short stacking energy: -2.485 Base-Backbone interact. energy: -0.000 local terms energy: -27.282831 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -3.685 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: 9, replica: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -29.812508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.812508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.812508 (E_RNA) where: Base-Base interactions energy: -10.581 where: short stacking energy: -10.581 Base-Backbone interact. energy: -0.000 local terms energy: -19.231252 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -1.130 flat angles P-C4'-P energy: -2.236 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: 10, replica: 6 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -30.696181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.696181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.696181 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -7.212 Base-Backbone interact. energy: -0.017 local terms energy: -23.467623 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.301 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: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -38.624313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.624313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.624313 (E_RNA) where: Base-Base interactions energy: -11.964 where: short stacking energy: -11.964 Base-Backbone interact. energy: -0.014 local terms energy: -26.645961 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -36.139510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.139510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.139510 (E_RNA) where: Base-Base interactions energy: -11.512 where: short stacking energy: -11.512 Base-Backbone interact. energy: -0.035 local terms energy: -24.591901 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -3.960 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: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -35.689012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.689012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.689012 (E_RNA) where: Base-Base interactions energy: -10.939 where: short stacking energy: -10.939 Base-Backbone interact. energy: -0.007 local terms energy: -24.743520 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -4.851 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: 4, replica: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -43.154858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.154858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.154858 (E_RNA) where: Base-Base interactions energy: -14.358 where: short stacking energy: -14.358 Base-Backbone interact. energy: -0.000 local terms energy: -28.796575 where: bonds (distance) C4'-P energy: -5.627 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -35.055729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.055729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.055729 (E_RNA) where: Base-Base interactions energy: -10.183 where: short stacking energy: -10.183 Base-Backbone interact. energy: -0.065 local terms energy: -24.807499 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.904 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: 6, replica: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -34.664077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.664077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.664077 (E_RNA) where: Base-Base interactions energy: -9.191 where: short stacking energy: -9.191 Base-Backbone interact. energy: -0.007 local terms energy: -25.465330 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -34.373858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.373858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.373858 (E_RNA) where: Base-Base interactions energy: -10.678 where: short stacking energy: -10.678 Base-Backbone interact. energy: -0.025 local terms energy: -23.671278 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -30.030835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.030835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.030835 (E_RNA) where: Base-Base interactions energy: -5.568 where: short stacking energy: -5.568 Base-Backbone interact. energy: -0.003 local terms energy: -24.459916 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -5.546 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: 9, replica: 2 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -33.713620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.713620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.713620 (E_RNA) where: Base-Base interactions energy: -7.485 where: short stacking energy: -7.485 Base-Backbone interact. energy: -0.286 local terms energy: -25.943052 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -31.089959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.089959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.089959 (E_RNA) where: Base-Base interactions energy: -8.591 where: short stacking energy: -8.591 Base-Backbone interact. energy: -0.106 local terms energy: -22.392845 where: bonds (distance) C4'-P energy: -2.925 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -4.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -36.459236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.459236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.459236 (E_RNA) where: Base-Base interactions energy: -12.148 where: short stacking energy: -12.148 Base-Backbone interact. energy: -0.000 local terms energy: -24.311162 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -37.699850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.699850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.699850 (E_RNA) where: Base-Base interactions energy: -13.843 where: short stacking energy: -13.843 Base-Backbone interact. energy: -0.000 local terms energy: -23.857017 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.026 flat angles P-C4'-P energy: -3.198 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: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -38.258337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.258337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.258337 (E_RNA) where: Base-Base interactions energy: -12.098 where: short stacking energy: -12.098 Base-Backbone interact. energy: -0.000 local terms energy: -26.160155 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -32.393764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.393764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.393764 (E_RNA) where: Base-Base interactions energy: -10.350 where: short stacking energy: -10.350 Base-Backbone interact. energy: -0.001 local terms energy: -22.042363 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.457 flat angles P-C4'-P energy: -4.917 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: 5, replica: 5 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -36.339500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.339500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.339500 (E_RNA) where: Base-Base interactions energy: -8.903 where: short stacking energy: -8.903 Base-Backbone interact. energy: -0.046 local terms energy: -27.389907 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -6.004 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -30.507107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.507107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.507107 (E_RNA) where: Base-Base interactions energy: -10.142 where: short stacking energy: -10.142 Base-Backbone interact. energy: -0.082 local terms energy: -20.282905 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: 0.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -30.473451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.473451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.473451 (E_RNA) where: Base-Base interactions energy: -7.853 where: short stacking energy: -7.853 Base-Backbone interact. energy: 0.181 local terms energy: -22.801479 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -0.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -29.369676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.369676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.369676 (E_RNA) where: Base-Base interactions energy: -4.528 where: short stacking energy: -0.852 Base-Backbone interact. energy: -0.084 local terms energy: -24.757213 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -5.017 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: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -27.506339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.506339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.506339 (E_RNA) where: Base-Base interactions energy: -5.207 where: short stacking energy: -5.207 Base-Backbone interact. energy: -0.014 local terms energy: -22.285631 where: bonds (distance) C4'-P energy: -5.007 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -2.818 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: 2 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -28.629959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.629959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.629959 (E_RNA) where: Base-Base interactions energy: -6.165 where: short stacking energy: -6.165 Base-Backbone interact. energy: -0.960 local terms energy: -21.504772 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -5.448 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: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -42.825884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.825884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.825884 (E_RNA) where: Base-Base interactions energy: -13.852 where: short stacking energy: -13.852 Base-Backbone interact. energy: -0.000 local terms energy: -28.973538 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -35.829500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.829500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.829500 (E_RNA) where: Base-Base interactions energy: -12.047 where: short stacking energy: -12.047 Base-Backbone interact. energy: -0.000 local terms energy: -23.782086 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -5.160 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -39.783738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.783738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.783738 (E_RNA) where: Base-Base interactions energy: -11.490 where: short stacking energy: -11.490 Base-Backbone interact. energy: -0.001 local terms energy: -28.293000 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -4.182 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: 4, replica: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -35.827837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.827837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.827837 (E_RNA) where: Base-Base interactions energy: -12.168 where: short stacking energy: -12.168 Base-Backbone interact. energy: -0.103 local terms energy: -23.557192 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -3.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -32.476952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.476952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.476952 (E_RNA) where: Base-Base interactions energy: -11.531 where: short stacking energy: -11.531 Base-Backbone interact. energy: -0.001 local terms energy: -20.944647 where: bonds (distance) C4'-P energy: -4.483 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -32.314443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.314443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.314443 (E_RNA) where: Base-Base interactions energy: -5.747 where: short stacking energy: -5.747 Base-Backbone interact. energy: -0.000 local terms energy: -26.567177 where: bonds (distance) C4'-P energy: -5.773 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -39.351942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.351942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.351942 (E_RNA) where: Base-Base interactions energy: -14.923 where: short stacking energy: -14.923 Base-Backbone interact. energy: -0.002 local terms energy: -24.427702 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -32.245656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.245656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.245656 (E_RNA) where: Base-Base interactions energy: -8.932 where: short stacking energy: -8.932 Base-Backbone interact. energy: -0.000 local terms energy: -23.313734 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -4.990 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: 9, replica: 3 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -29.419553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.419553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.419553 (E_RNA) where: Base-Base interactions energy: -6.506 where: short stacking energy: -6.506 Base-Backbone interact. energy: -0.142 local terms energy: -22.771946 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -4.100 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: 10, replica: 2 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -27.009612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.009612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.009612 (E_RNA) where: Base-Base interactions energy: -3.005 where: short stacking energy: -3.005 Base-Backbone interact. energy: -0.074 local terms energy: -23.930346 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: 0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -38.994334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.994334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.994334 (E_RNA) where: Base-Base interactions energy: -11.456 where: short stacking energy: -11.456 Base-Backbone interact. energy: -0.223 local terms energy: -27.315557 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.478 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: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -35.587012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.587012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.587012 (E_RNA) where: Base-Base interactions energy: -11.620 where: short stacking energy: -11.620 Base-Backbone interact. energy: -0.065 local terms energy: -23.902094 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -4.537 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: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -35.081551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.081551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.081551 (E_RNA) where: Base-Base interactions energy: -8.613 where: short stacking energy: -8.613 Base-Backbone interact. energy: -0.000 local terms energy: -26.467880 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -31.940612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.940612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.940612 (E_RNA) where: Base-Base interactions energy: -12.338 where: short stacking energy: -12.338 Base-Backbone interact. energy: -0.043 local terms energy: -19.559243 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -2.154 flat angles P-C4'-P energy: -3.269 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: 5, replica: 10 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -33.266571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.266571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.266571 (E_RNA) where: Base-Base interactions energy: -7.879 where: short stacking energy: -7.879 Base-Backbone interact. energy: -0.399 local terms energy: -24.988083 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -3.458 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: 6, replica: 5 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -32.284249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.284249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.284249 (E_RNA) where: Base-Base interactions energy: -6.796 where: short stacking energy: -6.796 Base-Backbone interact. energy: -0.123 local terms energy: -25.365205 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -4.116 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: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -31.839969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.839969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.839969 (E_RNA) where: Base-Base interactions energy: -7.857 where: short stacking energy: -5.321 Base-Backbone interact. energy: -0.285 local terms energy: -23.697646 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -4.073 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: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -29.468656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.468656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.468656 (E_RNA) where: Base-Base interactions energy: -4.426 where: short stacking energy: -4.426 Base-Backbone interact. energy: -0.028 local terms energy: -25.014234 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -29.406311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.406311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.406311 (E_RNA) where: Base-Base interactions energy: -5.980 where: short stacking energy: -2.892 Base-Backbone interact. energy: -0.326 local terms energy: -23.100688 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -2.713 flat angles P-C4'-P energy: -4.189 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: 10, replica: 3 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -29.437764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.437764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.437764 (E_RNA) where: Base-Base interactions energy: -6.154 where: short stacking energy: -6.154 Base-Backbone interact. energy: -0.003 local terms energy: -23.280503 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -5.914 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: 1, replica: 8 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -39.803995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.803995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.803995 (E_RNA) where: Base-Base interactions energy: -13.433 where: short stacking energy: -13.433 Base-Backbone interact. energy: -0.000 local terms energy: -26.371078 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -35.530991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.530991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.530991 (E_RNA) where: Base-Base interactions energy: -9.455 where: short stacking energy: -8.138 Base-Backbone interact. energy: -0.038 local terms energy: -26.037432 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -34.852216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.852216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.852216 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: -0.098 local terms energy: -23.332708 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -4.232 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: 4, replica: 10 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -34.240056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.240056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.240056 (E_RNA) where: Base-Base interactions energy: -11.668 where: short stacking energy: -11.668 Base-Backbone interact. energy: -0.054 local terms energy: -22.518074 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -4.845 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: 5, replica: 7 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -32.077349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.077349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.077349 (E_RNA) where: Base-Base interactions energy: -5.630 where: short stacking energy: -5.630 Base-Backbone interact. energy: -0.068 local terms energy: -26.379431 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -3.425 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: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -31.190047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.190047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.190047 (E_RNA) where: Base-Base interactions energy: -6.364 where: short stacking energy: -6.364 Base-Backbone interact. energy: -0.004 local terms energy: -24.821714 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.925 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: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -30.619591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.619591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.619591 (E_RNA) where: Base-Base interactions energy: -5.986 where: short stacking energy: -5.986 Base-Backbone interact. energy: -0.096 local terms energy: -24.537143 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -0.930 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: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -32.494847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.494847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.494847 (E_RNA) where: Base-Base interactions energy: -6.386 where: short stacking energy: -6.386 Base-Backbone interact. energy: -0.073 local terms energy: -26.036203 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.036 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: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -28.903078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.903078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.903078 (E_RNA) where: Base-Base interactions energy: -3.919 where: short stacking energy: -3.919 Base-Backbone interact. energy: -0.013 local terms energy: -24.970601 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -3.278 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: 10, replica: 3 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -26.725425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.725425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.725425 (E_RNA) where: Base-Base interactions energy: -6.046 where: short stacking energy: -6.372 Base-Backbone interact. energy: -0.034 local terms energy: -20.645522 where: bonds (distance) C4'-P energy: -3.103 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -41.895371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.895371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.895371 (E_RNA) where: Base-Base interactions energy: -12.089 where: short stacking energy: -12.089 Base-Backbone interact. energy: -0.106 local terms energy: -29.699621 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -4.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -35.741300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.741300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.741300 (E_RNA) where: Base-Base interactions energy: -7.934 where: short stacking energy: -7.934 Base-Backbone interact. energy: -0.029 local terms energy: -27.778514 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -5.612 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: 3, replica: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -37.758006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.758006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.758006 (E_RNA) where: Base-Base interactions energy: -9.568 where: short stacking energy: -9.568 Base-Backbone interact. energy: -0.003 local terms energy: -28.187818 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -3.702 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: 4, replica: 4 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -38.719608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.719608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.719608 (E_RNA) where: Base-Base interactions energy: -10.821 where: short stacking energy: -10.821 Base-Backbone interact. energy: -0.000 local terms energy: -27.898315 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -4.034 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: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -35.281783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.281783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.281783 (E_RNA) where: Base-Base interactions energy: -7.161 where: short stacking energy: -7.161 Base-Backbone interact. energy: -0.036 local terms energy: -28.084571 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -30.344941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.344941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.344941 (E_RNA) where: Base-Base interactions energy: -6.554 where: short stacking energy: -6.554 Base-Backbone interact. energy: -0.007 local terms energy: -23.784238 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -3.486 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: 7, replica: 2 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -34.655810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.655810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.655810 (E_RNA) where: Base-Base interactions energy: -11.042 where: short stacking energy: -11.042 Base-Backbone interact. energy: -0.002 local terms energy: -23.611378 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -4.986 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: 8, replica: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -31.486189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.486189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.486189 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.122 local terms energy: -22.836245 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -31.631555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.631555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.631555 (E_RNA) where: Base-Base interactions energy: -6.568 where: short stacking energy: -6.568 Base-Backbone interact. energy: -0.004 local terms energy: -25.059857 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -4.741 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: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -32.085053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.085053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.085053 (E_RNA) where: Base-Base interactions energy: -9.326 where: short stacking energy: -9.652 Base-Backbone interact. energy: -0.000 local terms energy: -22.758615 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -3.613 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -34.554814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.554814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.554814 (E_RNA) where: Base-Base interactions energy: -9.484 where: short stacking energy: -9.484 Base-Backbone interact. energy: -0.003 local terms energy: -25.067192 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.107 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -1.081 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: 73 Temperature: 0.950000 Total energy: -41.528447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.528447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.528447 (E_RNA) where: Base-Base interactions energy: -14.559 where: short stacking energy: -14.559 Base-Backbone interact. energy: -0.007 local terms energy: -26.961712 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -5.833 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: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -37.071043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.071043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.071043 (E_RNA) where: Base-Base interactions energy: -10.431 where: short stacking energy: -10.971 Base-Backbone interact. energy: -0.017 local terms energy: -26.622704 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -5.763 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: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -37.692122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.692122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.692122 (E_RNA) where: Base-Base interactions energy: -12.651 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.000 local terms energy: -25.041059 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -29.902556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.902556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.902556 (E_RNA) where: Base-Base interactions energy: -7.709 where: short stacking energy: -7.709 Base-Backbone interact. energy: -0.103 local terms energy: -22.091087 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: 0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -33.087203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.087203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.087203 (E_RNA) where: Base-Base interactions energy: -9.198 where: short stacking energy: -9.198 Base-Backbone interact. energy: -0.003 local terms energy: -23.886386 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -29.803836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.803836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.803836 (E_RNA) where: Base-Base interactions energy: -7.676 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.063 local terms energy: -22.064748 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.225 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -0.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -31.271475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.271475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.271475 (E_RNA) where: Base-Base interactions energy: -10.033 where: short stacking energy: -10.033 Base-Backbone interact. energy: -0.066 local terms energy: -21.173114 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -4.922 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -27.977799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.977799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.977799 (E_RNA) where: Base-Base interactions energy: -7.665 where: short stacking energy: -7.665 Base-Backbone interact. energy: -0.013 local terms energy: -20.300232 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -3.183 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: 0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -28.390301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.390301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.390301 (E_RNA) where: Base-Base interactions energy: -5.530 where: short stacking energy: -5.530 Base-Backbone interact. energy: -0.149 local terms energy: -22.711549 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: 1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -47.959329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.959329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.959329 (E_RNA) where: Base-Base interactions energy: -14.951 where: short stacking energy: -14.951 Base-Backbone interact. energy: -0.000 local terms energy: -33.008478 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -7.662 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: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -37.111431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.111431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.111431 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.112 local terms energy: -26.395574 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -5.364 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: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -31.901247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.901247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.901247 (E_RNA) where: Base-Base interactions energy: -7.730 where: short stacking energy: -7.017 Base-Backbone interact. energy: -0.186 local terms energy: -23.985043 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -4.463 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: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -36.627800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.627800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.627800 (E_RNA) where: Base-Base interactions energy: -10.855 where: short stacking energy: -10.588 Base-Backbone interact. energy: -1.017 local terms energy: -24.756374 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -3.456 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: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -31.963269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.963269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.963269 (E_RNA) where: Base-Base interactions energy: -4.942 where: short stacking energy: -4.942 Base-Backbone interact. energy: -0.000 local terms energy: -27.021058 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -27.004992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.004992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.004992 (E_RNA) where: Base-Base interactions energy: -6.677 where: short stacking energy: -6.677 Base-Backbone interact. energy: -0.033 local terms energy: -20.295518 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -1.029 flat angles P-C4'-P energy: -4.695 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: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -32.474143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.474143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.474143 (E_RNA) where: Base-Base interactions energy: -11.242 where: short stacking energy: -11.242 Base-Backbone interact. energy: -0.653 local terms energy: -20.578893 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.590 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: 7 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -30.104149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.104149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.104149 (E_RNA) where: Base-Base interactions energy: -5.070 where: short stacking energy: -5.070 Base-Backbone interact. energy: -0.000 local terms energy: -25.034439 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -1.900 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -33.477740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.477740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.477740 (E_RNA) where: Base-Base interactions energy: -8.336 where: short stacking energy: -8.336 Base-Backbone interact. energy: -0.003 local terms energy: -25.138943 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -2.977 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -5.183 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: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -27.069910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.069910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.069910 (E_RNA) where: Base-Base interactions energy: -4.356 where: short stacking energy: -4.356 Base-Backbone interact. energy: -0.058 local terms energy: -22.656080 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -0.587 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: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -37.967662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.967662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.967662 (E_RNA) where: Base-Base interactions energy: -13.363 where: short stacking energy: -13.363 Base-Backbone interact. energy: -0.012 local terms energy: -24.592658 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -3.174 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: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -34.441191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.441191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.441191 (E_RNA) where: Base-Base interactions energy: -9.761 where: short stacking energy: -9.761 Base-Backbone interact. energy: -0.001 local terms energy: -24.679988 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -33.779849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.779849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.779849 (E_RNA) where: Base-Base interactions energy: -11.560 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.002 local terms energy: -22.217648 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -2.731 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: 4, replica: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -34.038065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.038065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.038065 (E_RNA) where: Base-Base interactions energy: -8.021 where: short stacking energy: -7.727 Base-Backbone interact. energy: -0.059 local terms energy: -25.957824 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -5.163 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: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -35.272729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.272729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.272729 (E_RNA) where: Base-Base interactions energy: -10.991 where: short stacking energy: -10.991 Base-Backbone interact. energy: -0.000 local terms energy: -24.281817 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.745 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: 6, replica: 3 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -41.980675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.980675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.980675 (E_RNA) where: Base-Base interactions energy: -16.480 where: short stacking energy: -13.557 Base-Backbone interact. energy: -0.006 local terms energy: -25.495079 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -31.481226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.481226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.481226 (E_RNA) where: Base-Base interactions energy: -10.828 where: short stacking energy: -10.828 Base-Backbone interact. energy: -0.096 local terms energy: -20.557115 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.230 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -1.461 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -30.602113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.602113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.602113 (E_RNA) where: Base-Base interactions energy: -6.838 where: short stacking energy: -6.838 Base-Backbone interact. energy: -0.071 local terms energy: -23.693208 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -3.904 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: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -35.203932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.203932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.203932 (E_RNA) where: Base-Base interactions energy: -11.720 where: short stacking energy: -11.720 Base-Backbone interact. energy: -0.019 local terms energy: -23.465551 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -5.096 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: 10, replica: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -31.663641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.663641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.663641 (E_RNA) where: Base-Base interactions energy: -7.280 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.095 local terms energy: -24.288143 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -42.693489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.693489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.693489 (E_RNA) where: Base-Base interactions energy: -16.354 where: short stacking energy: -16.354 Base-Backbone interact. energy: -0.003 local terms energy: -26.336801 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -4.554 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: 2, replica: 9 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -37.494016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.494016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.494016 (E_RNA) where: Base-Base interactions energy: -12.258 where: short stacking energy: -12.258 Base-Backbone interact. energy: -0.002 local terms energy: -25.234130 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -38.486653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.486653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.486653 (E_RNA) where: Base-Base interactions energy: -14.736 where: short stacking energy: -14.736 Base-Backbone interact. energy: -0.003 local terms energy: -23.747615 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -3.656 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: 4, replica: 2 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -34.374535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.374535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.374535 (E_RNA) where: Base-Base interactions energy: -8.650 where: short stacking energy: -8.650 Base-Backbone interact. energy: -0.000 local terms energy: -25.724025 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -5.023 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: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -33.967160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.967160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.967160 (E_RNA) where: Base-Base interactions energy: -6.667 where: short stacking energy: -6.667 Base-Backbone interact. energy: -0.014 local terms energy: -27.286689 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -5.947 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: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -32.303521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.303521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.303521 (E_RNA) where: Base-Base interactions energy: -8.482 where: short stacking energy: -8.482 Base-Backbone interact. energy: -0.076 local terms energy: -23.745643 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.465 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -4.161 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: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -32.053010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.053010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.053010 (E_RNA) where: Base-Base interactions energy: -10.119 where: short stacking energy: -10.119 Base-Backbone interact. energy: -0.038 local terms energy: -21.895973 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: 0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -28.122075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.122075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.122075 (E_RNA) where: Base-Base interactions energy: -5.336 where: short stacking energy: -4.579 Base-Backbone interact. energy: -0.001 local terms energy: -22.785220 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -0.668 tors. eta vs tors. theta energy: -2.524 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: 5 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -29.128417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.128417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.128417 (E_RNA) where: Base-Base interactions energy: -6.477 where: short stacking energy: -6.477 Base-Backbone interact. energy: -0.004 local terms energy: -22.647357 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -3.187 flat angles P-C4'-P energy: -5.730 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: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -29.863551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.863551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.863551 (E_RNA) where: Base-Base interactions energy: -7.877 where: short stacking energy: -7.877 Base-Backbone interact. energy: -0.000 local terms energy: -21.986417 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -4.268 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -3.874 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: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -39.200935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.200935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.200935 (E_RNA) where: Base-Base interactions energy: -11.378 where: short stacking energy: -11.378 Base-Backbone interact. energy: -0.099 local terms energy: -27.723289 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -38.890751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.890751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.890751 (E_RNA) where: Base-Base interactions energy: -10.625 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.038 local terms energy: -28.228085 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -39.287962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.287962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.287962 (E_RNA) where: Base-Base interactions energy: -9.304 where: short stacking energy: -7.477 Base-Backbone interact. energy: -0.174 local terms energy: -29.809892 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -38.214668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.214668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.214668 (E_RNA) where: Base-Base interactions energy: -13.538 where: short stacking energy: -13.538 Base-Backbone interact. energy: -0.010 local terms energy: -24.666841 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -4.984 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: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -30.879110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.879110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.879110 (E_RNA) where: Base-Base interactions energy: -9.345 where: short stacking energy: -9.345 Base-Backbone interact. energy: -0.181 local terms energy: -21.353186 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -4.463 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: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -34.138302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.138302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.138302 (E_RNA) where: Base-Base interactions energy: -10.943 where: short stacking energy: -10.943 Base-Backbone interact. energy: -0.001 local terms energy: -23.193520 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -0.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -28.880079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.880079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.880079 (E_RNA) where: Base-Base interactions energy: -5.666 where: short stacking energy: -2.758 Base-Backbone interact. energy: -0.059 local terms energy: -23.155805 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -31.105207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.105207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.105207 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.075 local terms energy: -23.646967 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -2.204 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: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -27.900490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.900490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.900490 (E_RNA) where: Base-Base interactions energy: -3.976 where: short stacking energy: -3.976 Base-Backbone interact. energy: -0.005 local terms energy: -23.920179 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -4.977 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -1.581 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: 77 Temperature: 1.350000 Total energy: -28.341826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.341826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.341826 (E_RNA) where: Base-Base interactions energy: -5.573 where: short stacking energy: -5.573 Base-Backbone interact. energy: -0.615 local terms energy: -22.154163 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.921 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -1.356 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: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -40.579387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.579387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.579387 (E_RNA) where: Base-Base interactions energy: -13.209 where: short stacking energy: -13.209 Base-Backbone interact. energy: -0.047 local terms energy: -27.323392 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.904 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: 6 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -38.685259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.685259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.685259 (E_RNA) where: Base-Base interactions energy: -11.422 where: short stacking energy: -11.422 Base-Backbone interact. energy: -0.010 local terms energy: -27.252633 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -5.102 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: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -36.505059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.505059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.505059 (E_RNA) where: Base-Base interactions energy: -10.976 where: short stacking energy: -10.976 Base-Backbone interact. energy: 0.022 local terms energy: -25.550991 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -5.009 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: 4, replica: 9 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -34.889143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.889143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.889143 (E_RNA) where: Base-Base interactions energy: -10.502 where: short stacking energy: -10.502 Base-Backbone interact. energy: -0.091 local terms energy: -24.296750 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -5.039 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: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -31.336371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.336371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.336371 (E_RNA) where: Base-Base interactions energy: -6.976 where: short stacking energy: -6.976 Base-Backbone interact. energy: -0.044 local terms energy: -24.315597 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -3.282 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -32.504493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.504493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.504493 (E_RNA) where: Base-Base interactions energy: -8.989 where: short stacking energy: -9.489 Base-Backbone interact. energy: -0.100 local terms energy: -23.415998 where: bonds (distance) C4'-P energy: -4.793 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -4.420 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: 5 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -30.366807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.366807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.366807 (E_RNA) where: Base-Base interactions energy: -8.607 where: short stacking energy: -8.607 Base-Backbone interact. energy: -0.071 local terms energy: -21.689243 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: 1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -28.855916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.855916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.855916 (E_RNA) where: Base-Base interactions energy: -5.004 where: short stacking energy: -5.004 Base-Backbone interact. energy: -0.031 local terms energy: -23.820944 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -28.536443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.536443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.536443 (E_RNA) where: Base-Base interactions energy: -10.545 where: short stacking energy: -10.545 Base-Backbone interact. energy: -0.000 local terms energy: -17.991270 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -2.355 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -2.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -27.630037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.630037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.630037 (E_RNA) where: Base-Base interactions energy: -8.311 where: short stacking energy: -8.311 Base-Backbone interact. energy: -0.119 local terms energy: -19.200329 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -1.133 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -0.288 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: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -38.804002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.804002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.804002 (E_RNA) where: Base-Base interactions energy: -14.661 where: short stacking energy: -14.661 Base-Backbone interact. energy: -0.000 local terms energy: -24.143337 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -3.208 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: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -40.981309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.981309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.981309 (E_RNA) where: Base-Base interactions energy: -12.404 where: short stacking energy: -12.404 Base-Backbone interact. energy: -0.107 local terms energy: -28.470066 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -4.305 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: 6 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -35.988852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.988852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.988852 (E_RNA) where: Base-Base interactions energy: -12.461 where: short stacking energy: -9.518 Base-Backbone interact. energy: 1.498 local terms energy: -25.025752 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -3.866 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: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -31.852987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.852987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.852987 (E_RNA) where: Base-Base interactions energy: -8.316 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.035 local terms energy: -23.501565 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -3.287 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: 5, replica: 9 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -37.113755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.113755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.113755 (E_RNA) where: Base-Base interactions energy: -14.789 where: short stacking energy: -14.789 Base-Backbone interact. energy: -0.000 local terms energy: -22.325069 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -3.243 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: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -31.156207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.156207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.156207 (E_RNA) where: Base-Base interactions energy: -6.762 where: short stacking energy: -6.762 Base-Backbone interact. energy: -0.038 local terms energy: -24.357056 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -5.167 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: 7, replica: 2 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -33.476875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.476875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.476875 (E_RNA) where: Base-Base interactions energy: -9.846 where: short stacking energy: -9.846 Base-Backbone interact. energy: -0.269 local terms energy: -23.361780 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -0.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -29.768868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.768868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.768868 (E_RNA) where: Base-Base interactions energy: -5.740 where: short stacking energy: -5.740 Base-Backbone interact. energy: -0.094 local terms energy: -23.934462 where: bonds (distance) C4'-P energy: -4.349 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -2.650 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: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -32.191699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.191699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.191699 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.018 local terms energy: -24.969644 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -4.768 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -33.967489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.967489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.967489 (E_RNA) where: Base-Base interactions energy: -8.368 where: short stacking energy: -8.368 Base-Backbone interact. energy: -0.101 local terms energy: -25.498672 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -37.791236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.791236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.791236 (E_RNA) where: Base-Base interactions energy: -10.259 where: short stacking energy: -9.614 Base-Backbone interact. energy: -0.448 local terms energy: -27.083554 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -36.498713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.498713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.498713 (E_RNA) where: Base-Base interactions energy: -10.502 where: short stacking energy: -10.502 Base-Backbone interact. energy: -0.000 local terms energy: -25.996704 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -5.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -35.645488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.645488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.645488 (E_RNA) where: Base-Base interactions energy: -13.662 where: short stacking energy: -13.662 Base-Backbone interact. energy: -0.043 local terms energy: -21.940205 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -2.724 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: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -32.241408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.241408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.241408 (E_RNA) where: Base-Base interactions energy: -6.274 where: short stacking energy: -6.274 Base-Backbone interact. energy: -0.130 local terms energy: -25.836636 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -4.193 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: 5, replica: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -36.881255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.881255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.881255 (E_RNA) where: Base-Base interactions energy: -9.482 where: short stacking energy: -9.482 Base-Backbone interact. energy: -0.087 local terms energy: -27.312518 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -5.051 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: 6, replica: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -34.110853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.110853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.110853 (E_RNA) where: Base-Base interactions energy: -8.879 where: short stacking energy: -8.879 Base-Backbone interact. energy: -0.032 local terms energy: -25.199327 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -1.537 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: 7, replica: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -34.465105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.465105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.465105 (E_RNA) where: Base-Base interactions energy: -8.962 where: short stacking energy: -8.962 Base-Backbone interact. energy: -0.053 local terms energy: -25.450304 where: bonds (distance) C4'-P energy: -4.734 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -5.131 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: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -34.892025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.892025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.892025 (E_RNA) where: Base-Base interactions energy: -8.675 where: short stacking energy: -8.675 Base-Backbone interact. energy: -0.093 local terms energy: -26.123900 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -28.160763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.160763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.160763 (E_RNA) where: Base-Base interactions energy: -5.355 where: short stacking energy: -5.355 Base-Backbone interact. energy: -0.002 local terms energy: -22.804382 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -5.119 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: 10, replica: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -27.540820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.540820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.540820 (E_RNA) where: Base-Base interactions energy: -5.244 where: short stacking energy: -5.244 Base-Backbone interact. energy: -0.057 local terms energy: -22.239189 where: bonds (distance) C4'-P energy: -4.428 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -3.296 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: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -43.788745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.788745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.788745 (E_RNA) where: Base-Base interactions energy: -14.243 where: short stacking energy: -14.243 Base-Backbone interact. energy: -0.000 local terms energy: -29.545492 where: bonds (distance) C4'-P energy: -5.260 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -32.972777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.972777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.972777 (E_RNA) where: Base-Base interactions energy: -9.320 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.001 local terms energy: -23.651869 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -2.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -38.268743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.268743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.268743 (E_RNA) where: Base-Base interactions energy: -18.867 where: short stacking energy: -13.956 Base-Backbone interact. energy: -0.132 local terms energy: -19.269697 where: bonds (distance) C4'-P energy: -4.395 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -1.040 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: 4, replica: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -37.031585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.031585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.031585 (E_RNA) where: Base-Base interactions energy: -9.562 where: short stacking energy: -9.562 Base-Backbone interact. energy: -0.010 local terms energy: -27.460085 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -43.234368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.234368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.234368 (E_RNA) where: Base-Base interactions energy: -13.377 where: short stacking energy: -13.377 Base-Backbone interact. energy: -0.033 local terms energy: -29.823972 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -5.911 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: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -32.245114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.245114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.245114 (E_RNA) where: Base-Base interactions energy: -9.566 where: short stacking energy: -9.248 Base-Backbone interact. energy: -0.014 local terms energy: -22.664468 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -2.733 tors. eta vs tors. theta energy: -0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -32.365195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.365195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.365195 (E_RNA) where: Base-Base interactions energy: -5.729 where: short stacking energy: -5.729 Base-Backbone interact. energy: -0.081 local terms energy: -26.555576 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -5.921 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: 8, replica: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -31.001330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.001330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.001330 (E_RNA) where: Base-Base interactions energy: -3.284 where: short stacking energy: -3.284 Base-Backbone interact. energy: -0.021 local terms energy: -27.695982 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -5.054 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: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -30.893942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.893942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.893942 (E_RNA) where: Base-Base interactions energy: -6.852 where: short stacking energy: -6.480 Base-Backbone interact. energy: -0.036 local terms energy: -24.006561 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -2.665 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: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -29.761337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.761337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.761337 (E_RNA) where: Base-Base interactions energy: -10.706 where: short stacking energy: -10.706 Base-Backbone interact. energy: -0.017 local terms energy: -19.038687 where: bonds (distance) C4'-P energy: 0.109 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -3.974 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: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -35.737710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.737710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.737710 (E_RNA) where: Base-Base interactions energy: -10.765 where: short stacking energy: -10.765 Base-Backbone interact. energy: -0.164 local terms energy: -24.809097 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -5.648 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: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -37.803390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.803390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.803390 (E_RNA) where: Base-Base interactions energy: -15.661 where: short stacking energy: -6.785 Base-Backbone interact. energy: -0.349 local terms energy: -21.792833 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: 1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -40.651308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.651308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.651308 (E_RNA) where: Base-Base interactions energy: -13.859 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.000 local terms energy: -26.791967 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -5.990 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: 4, replica: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -34.401895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.401895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.401895 (E_RNA) where: Base-Base interactions energy: -6.918 where: short stacking energy: -6.918 Base-Backbone interact. energy: -0.008 local terms energy: -27.476192 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -33.659359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.659359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.659359 (E_RNA) where: Base-Base interactions energy: -7.596 where: short stacking energy: -7.538 Base-Backbone interact. energy: -0.283 local terms energy: -25.780452 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -4.211 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: 6, replica: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -30.933977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.933977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.933977 (E_RNA) where: Base-Base interactions energy: -8.205 where: short stacking energy: -8.205 Base-Backbone interact. energy: -0.136 local terms energy: -22.593136 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -32.668796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.668796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.668796 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.000 local terms energy: -21.085318 where: bonds (distance) C4'-P energy: -3.692 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -1.997 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -4.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -33.349372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.349372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.349372 (E_RNA) where: Base-Base interactions energy: -14.054 where: short stacking energy: -14.054 Base-Backbone interact. energy: -0.089 local terms energy: -19.206287 where: bonds (distance) C4'-P energy: -2.813 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -2.598 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: 82 Temperature: 1.300000 Total energy: -29.483767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.483767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.483767 (E_RNA) where: Base-Base interactions energy: -6.534 where: short stacking energy: -6.534 Base-Backbone interact. energy: -0.006 local terms energy: -22.943918 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -4.515 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: 10, replica: 2 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -29.709408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.709408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.709408 (E_RNA) where: Base-Base interactions energy: -5.429 where: short stacking energy: -5.429 Base-Backbone interact. energy: -0.002 local terms energy: -24.278028 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -46.380478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.380478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.380478 (E_RNA) where: Base-Base interactions energy: -15.291 where: short stacking energy: -15.291 Base-Backbone interact. energy: -0.000 local terms energy: -31.089844 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -5.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -36.964415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.964415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.964415 (E_RNA) where: Base-Base interactions energy: -17.884 where: short stacking energy: -11.912 Base-Backbone interact. energy: -0.128 local terms energy: -18.952595 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -1.505 flat angles P-C4'-P energy: -3.574 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: 3, replica: 5 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -32.496548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.496548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.496548 (E_RNA) where: Base-Base interactions energy: -11.341 where: short stacking energy: -8.845 Base-Backbone interact. energy: -0.098 local terms energy: -21.058291 where: bonds (distance) C4'-P energy: -3.922 bonds (distance) P-C4' energy: -5.517 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -5.571 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: 7 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -38.307765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.307765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.307765 (E_RNA) where: Base-Base interactions energy: -12.520 where: short stacking energy: -12.520 Base-Backbone interact. energy: -0.057 local terms energy: -25.730770 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -3.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -33.769422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.769422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.769422 (E_RNA) where: Base-Base interactions energy: -8.519 where: short stacking energy: -8.519 Base-Backbone interact. energy: -0.011 local terms energy: -25.239305 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -37.222345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.222345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.222345 (E_RNA) where: Base-Base interactions energy: -11.941 where: short stacking energy: -11.941 Base-Backbone interact. energy: -0.003 local terms energy: -25.277718 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -4.670 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: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -30.918951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.918951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.918951 (E_RNA) where: Base-Base interactions energy: -7.064 where: short stacking energy: -7.064 Base-Backbone interact. energy: -0.044 local terms energy: -23.810838 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -30.910928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.910928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.910928 (E_RNA) where: Base-Base interactions energy: -7.807 where: short stacking energy: -7.807 Base-Backbone interact. energy: -0.107 local terms energy: -22.997139 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -3.823 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: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -31.125208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.125208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.125208 (E_RNA) where: Base-Base interactions energy: -11.429 where: short stacking energy: -11.429 Base-Backbone interact. energy: -0.176 local terms energy: -19.520499 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -4.337 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: 10, replica: 2 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -27.911039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.911039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.911039 (E_RNA) where: Base-Base interactions energy: -6.464 where: short stacking energy: -6.464 Base-Backbone interact. energy: -0.194 local terms energy: -21.253992 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -3.149 flat angles P-C4'-P energy: -4.444 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: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -34.552482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.552482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.552482 (E_RNA) where: Base-Base interactions energy: -10.703 where: short stacking energy: -10.703 Base-Backbone interact. energy: -0.000 local terms energy: -23.849649 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -5.020 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: 2, replica: 6 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -38.767886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.767886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.767886 (E_RNA) where: Base-Base interactions energy: -13.047 where: short stacking energy: -13.047 Base-Backbone interact. energy: -0.000 local terms energy: -25.720514 where: bonds (distance) C4'-P energy: -4.759 bonds (distance) P-C4' energy: -6.314 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -5.567 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: 3, replica: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -39.443372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.443372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.443372 (E_RNA) where: Base-Base interactions energy: -11.689 where: short stacking energy: -11.689 Base-Backbone interact. energy: -0.001 local terms energy: -27.754225 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -5.699 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: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -37.904632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.904632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.904632 (E_RNA) where: Base-Base interactions energy: -10.243 where: short stacking energy: -10.243 Base-Backbone interact. energy: -0.000 local terms energy: -27.660916 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -5.087 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: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -31.060506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.060506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.060506 (E_RNA) where: Base-Base interactions energy: -7.054 where: short stacking energy: -7.054 Base-Backbone interact. energy: -0.030 local terms energy: -23.976188 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -5.332 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: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -38.717836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.717836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.717836 (E_RNA) where: Base-Base interactions energy: -11.986 where: short stacking energy: -11.986 Base-Backbone interact. energy: -0.080 local terms energy: -26.651368 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -3.742 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: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -29.492469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.492469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.492469 (E_RNA) where: Base-Base interactions energy: -4.281 where: short stacking energy: -4.281 Base-Backbone interact. energy: -0.015 local terms energy: -25.196022 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -4.559 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: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -28.101057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.101057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.101057 (E_RNA) where: Base-Base interactions energy: -7.070 where: short stacking energy: -7.070 Base-Backbone interact. energy: -0.016 local terms energy: -21.015064 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -1.881 tors. eta vs tors. theta energy: 0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -31.959515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.959515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.959515 (E_RNA) where: Base-Base interactions energy: -9.860 where: short stacking energy: -9.860 Base-Backbone interact. energy: -0.099 local terms energy: -22.000501 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -4.140 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -3.875 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: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -29.388364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.388364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.388364 (E_RNA) where: Base-Base interactions energy: -3.515 where: short stacking energy: -3.515 Base-Backbone interact. energy: -0.828 local terms energy: -25.044998 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -4.187 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: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -40.567203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.567203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.567203 (E_RNA) where: Base-Base interactions energy: -14.604 where: short stacking energy: -14.604 Base-Backbone interact. energy: -0.000 local terms energy: -25.962976 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -38.664986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.664986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.664986 (E_RNA) where: Base-Base interactions energy: -14.769 where: short stacking energy: -14.769 Base-Backbone interact. energy: -0.054 local terms energy: -23.841126 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -4.645 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -31.722901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.722901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.722901 (E_RNA) where: Base-Base interactions energy: -6.504 where: short stacking energy: -6.504 Base-Backbone interact. energy: -0.355 local terms energy: -24.864146 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -5.012 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: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -31.839183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.839183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.839183 (E_RNA) where: Base-Base interactions energy: -11.069 where: short stacking energy: -9.869 Base-Backbone interact. energy: -0.174 local terms energy: -20.595858 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.257 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: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -35.019466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.019466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.019466 (E_RNA) where: Base-Base interactions energy: -9.524 where: short stacking energy: -9.524 Base-Backbone interact. energy: -0.000 local terms energy: -25.494821 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -2.721 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: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -32.508898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.508898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.508898 (E_RNA) where: Base-Base interactions energy: -5.854 where: short stacking energy: -5.854 Base-Backbone interact. energy: -0.191 local terms energy: -26.463878 where: bonds (distance) C4'-P energy: -4.528 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -5.631 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: 7, replica: 10 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -34.575318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.575318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.575318 (E_RNA) where: Base-Base interactions energy: -9.771 where: short stacking energy: -9.771 Base-Backbone interact. energy: -0.000 local terms energy: -24.804255 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -29.247468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.247468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.247468 (E_RNA) where: Base-Base interactions energy: -9.621 where: short stacking energy: -9.621 Base-Backbone interact. energy: -0.002 local terms energy: -19.624401 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -2.861 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: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -30.144027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.144027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.144027 (E_RNA) where: Base-Base interactions energy: -8.444 where: short stacking energy: -8.444 Base-Backbone interact. energy: -0.011 local terms energy: -21.689213 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -3.800 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: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -30.463392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.463392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.463392 (E_RNA) where: Base-Base interactions energy: -5.716 where: short stacking energy: -3.986 Base-Backbone interact. energy: -0.007 local terms energy: -24.739440 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -4.231 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: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -42.869863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.869863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.869863 (E_RNA) where: Base-Base interactions energy: -14.236 where: short stacking energy: -14.236 Base-Backbone interact. energy: -0.000 local terms energy: -28.633957 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -3.183 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: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -39.575499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.575499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.575499 (E_RNA) where: Base-Base interactions energy: -14.498 where: short stacking energy: -14.498 Base-Backbone interact. energy: -0.124 local terms energy: -24.954097 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -5.096 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: 3, replica: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -39.730506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.730506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.730506 (E_RNA) where: Base-Base interactions energy: -11.586 where: short stacking energy: -11.586 Base-Backbone interact. energy: -0.001 local terms energy: -28.143470 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.897 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -5.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -34.490021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.490021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.490021 (E_RNA) where: Base-Base interactions energy: -8.305 where: short stacking energy: -6.873 Base-Backbone interact. energy: -0.378 local terms energy: -25.806324 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -29.006140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.006140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.006140 (E_RNA) where: Base-Base interactions energy: 0.040 where: short stacking energy: 0.040 Base-Backbone interact. energy: -0.860 local terms energy: -28.185937 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -32.676636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.676636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.676636 (E_RNA) where: Base-Base interactions energy: -7.990 where: short stacking energy: -7.990 Base-Backbone interact. energy: -0.000 local terms energy: -24.686960 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -4.833 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: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -34.269198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.269198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.269198 (E_RNA) where: Base-Base interactions energy: -7.374 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.002 local terms energy: -26.893369 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.140 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: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -33.435658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.435658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.435658 (E_RNA) where: Base-Base interactions energy: -8.073 where: short stacking energy: -7.421 Base-Backbone interact. energy: -0.185 local terms energy: -25.177207 where: bonds (distance) C4'-P energy: -4.366 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -1.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -30.143826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.143826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.143826 (E_RNA) where: Base-Base interactions energy: -6.179 where: short stacking energy: -6.179 Base-Backbone interact. energy: -0.003 local terms energy: -23.962031 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -2.839 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: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -28.438869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.438869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.438869 (E_RNA) where: Base-Base interactions energy: -9.631 where: short stacking energy: -9.631 Base-Backbone interact. energy: 2.368 local terms energy: -21.176306 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -3.655 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: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -35.169699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.169699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.169699 (E_RNA) where: Base-Base interactions energy: -12.852 where: short stacking energy: -12.852 Base-Backbone interact. energy: -0.002 local terms energy: -22.315642 where: bonds (distance) C4'-P energy: -5.633 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -5.534 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: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -35.091172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.091172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.091172 (E_RNA) where: Base-Base interactions energy: -7.899 where: short stacking energy: -7.899 Base-Backbone interact. energy: -0.156 local terms energy: -27.036338 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -0.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -40.745510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.745510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.745510 (E_RNA) where: Base-Base interactions energy: -14.270 where: short stacking energy: -14.270 Base-Backbone interact. energy: -1.181 local terms energy: -25.294690 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -32.456953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.456953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.456953 (E_RNA) where: Base-Base interactions energy: -10.178 where: short stacking energy: -10.178 Base-Backbone interact. energy: -0.002 local terms energy: -22.277132 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -34.598209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.598209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.598209 (E_RNA) where: Base-Base interactions energy: -9.470 where: short stacking energy: -9.470 Base-Backbone interact. energy: -0.083 local terms energy: -25.044835 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -5.202 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: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -33.075840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.075840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.075840 (E_RNA) where: Base-Base interactions energy: -7.355 where: short stacking energy: -7.355 Base-Backbone interact. energy: -0.104 local terms energy: -25.617230 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -4.724 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: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -32.342632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.342632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.342632 (E_RNA) where: Base-Base interactions energy: -10.538 where: short stacking energy: -10.538 Base-Backbone interact. energy: -0.001 local terms energy: -21.803498 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -0.378 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -28.267598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.267598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.267598 (E_RNA) where: Base-Base interactions energy: -5.261 where: short stacking energy: -5.128 Base-Backbone interact. energy: -0.062 local terms energy: -22.944868 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -3.753 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: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -29.876725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.876725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.876725 (E_RNA) where: Base-Base interactions energy: -10.412 where: short stacking energy: -10.412 Base-Backbone interact. energy: -0.006 local terms energy: -19.459111 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -27.510547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.510547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.510547 (E_RNA) where: Base-Base interactions energy: -5.471 where: short stacking energy: -5.471 Base-Backbone interact. energy: -0.007 local terms energy: -22.032202 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.966 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -41.357064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.357064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.357064 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -11.920 Base-Backbone interact. energy: -0.093 local terms energy: -29.241179 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -2.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -34.856830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.856830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.856830 (E_RNA) where: Base-Base interactions energy: -7.696 where: short stacking energy: -7.696 Base-Backbone interact. energy: -0.095 local terms energy: -27.065817 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -4.998 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: 3, replica: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -33.210047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.210047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.210047 (E_RNA) where: Base-Base interactions energy: -6.907 where: short stacking energy: -6.907 Base-Backbone interact. energy: -0.017 local terms energy: -26.286026 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -1.396 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -35.807502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.807502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.807502 (E_RNA) where: Base-Base interactions energy: -11.010 where: short stacking energy: -11.010 Base-Backbone interact. energy: -0.236 local terms energy: -24.561718 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -1.586 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: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -32.016182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.016182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.016182 (E_RNA) where: Base-Base interactions energy: -4.637 where: short stacking energy: -4.637 Base-Backbone interact. energy: -0.069 local terms energy: -27.310761 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -32.531947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.531947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.531947 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.062 local terms energy: -25.202196 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: 0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -29.868123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.868123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.868123 (E_RNA) where: Base-Base interactions energy: -8.940 where: short stacking energy: -8.587 Base-Backbone interact. energy: -0.011 local terms energy: -20.917138 where: bonds (distance) C4'-P energy: -3.890 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -0.792 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -33.063525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.063525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.063525 (E_RNA) where: Base-Base interactions energy: -8.559 where: short stacking energy: -8.559 Base-Backbone interact. energy: -0.001 local terms energy: -24.504013 where: bonds (distance) C4'-P energy: -4.808 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -25.863215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.863215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.863215 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.002 local terms energy: -25.861523 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -27.257067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.257067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.257067 (E_RNA) where: Base-Base interactions energy: -7.724 where: short stacking energy: -7.724 Base-Backbone interact. energy: -0.000 local terms energy: -19.533279 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -1.430 flat angles P-C4'-P energy: -2.311 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: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -39.839222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.839222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.839222 (E_RNA) where: Base-Base interactions energy: -12.589 where: short stacking energy: -12.589 Base-Backbone interact. energy: -0.000 local terms energy: -27.250539 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -3.478 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: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -38.165354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.165354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.165354 (E_RNA) where: Base-Base interactions energy: -12.532 where: short stacking energy: -12.532 Base-Backbone interact. energy: -0.000 local terms energy: -25.632893 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -2.407 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: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -36.855113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.855113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.855113 (E_RNA) where: Base-Base interactions energy: -8.606 where: short stacking energy: -8.606 Base-Backbone interact. energy: -0.018 local terms energy: -28.230822 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -33.009269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.009269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.009269 (E_RNA) where: Base-Base interactions energy: -9.107 where: short stacking energy: -7.714 Base-Backbone interact. energy: -0.196 local terms energy: -23.706318 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -3.574 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: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -35.481099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.481099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.481099 (E_RNA) where: Base-Base interactions energy: -13.405 where: short stacking energy: -13.405 Base-Backbone interact. energy: -0.092 local terms energy: -21.984853 where: bonds (distance) C4'-P energy: -3.132 bonds (distance) P-C4' energy: -5.163 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -4.853 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: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -32.056242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.056242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.056242 (E_RNA) where: Base-Base interactions energy: -7.487 where: short stacking energy: -7.487 Base-Backbone interact. energy: -0.102 local terms energy: -24.467476 where: bonds (distance) C4'-P energy: -5.077 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -5.386 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: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -29.640385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.640385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.640385 (E_RNA) where: Base-Base interactions energy: -2.052 where: short stacking energy: -1.277 Base-Backbone interact. energy: -0.755 local terms energy: -26.832757 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -5.763 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: 8, replica: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -29.169541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.169541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.169541 (E_RNA) where: Base-Base interactions energy: -5.194 where: short stacking energy: -5.194 Base-Backbone interact. energy: -0.010 local terms energy: -23.964977 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -31.868958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.868958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.868958 (E_RNA) where: Base-Base interactions energy: -7.129 where: short stacking energy: -7.129 Base-Backbone interact. energy: -0.000 local terms energy: -24.739845 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -4.209 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: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -27.137609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.137609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.137609 (E_RNA) where: Base-Base interactions energy: -7.303 where: short stacking energy: -7.303 Base-Backbone interact. energy: -0.005 local terms energy: -19.828855 where: bonds (distance) C4'-P energy: -3.232 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: 0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -41.117772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.117772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.117772 (E_RNA) where: Base-Base interactions energy: -13.238 where: short stacking energy: -13.238 Base-Backbone interact. energy: -0.012 local terms energy: -27.866919 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -38.256472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.256472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.256472 (E_RNA) where: Base-Base interactions energy: -12.075 where: short stacking energy: -10.683 Base-Backbone interact. energy: -0.064 local terms energy: -26.116882 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -3.197 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: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -37.137289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.137289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.137289 (E_RNA) where: Base-Base interactions energy: -8.726 where: short stacking energy: -8.726 Base-Backbone interact. energy: -0.001 local terms energy: -28.410629 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -4.678 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: 4, replica: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -32.918529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.918529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.918529 (E_RNA) where: Base-Base interactions energy: -7.984 where: short stacking energy: -7.984 Base-Backbone interact. energy: -0.050 local terms energy: -24.883898 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -5.709 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: 5, replica: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -31.349071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.349071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.349071 (E_RNA) where: Base-Base interactions energy: -8.033 where: short stacking energy: -8.033 Base-Backbone interact. energy: -0.026 local terms energy: -23.289854 where: bonds (distance) C4'-P energy: -2.345 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -38.212015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.212015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.212015 (E_RNA) where: Base-Base interactions energy: -13.229 where: short stacking energy: -13.229 Base-Backbone interact. energy: -0.000 local terms energy: -24.982729 where: bonds (distance) C4'-P energy: -5.049 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -2.428 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: 7, replica: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -33.426533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.426533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.426533 (E_RNA) where: Base-Base interactions energy: -7.264 where: short stacking energy: -7.264 Base-Backbone interact. energy: -0.003 local terms energy: -26.159289 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -5.548 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: 8, replica: 6 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -30.201667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.201667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.201667 (E_RNA) where: Base-Base interactions energy: -6.755 where: short stacking energy: -6.755 Base-Backbone interact. energy: -0.001 local terms energy: -23.445329 where: bonds (distance) C4'-P energy: -6.299 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -3.790 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: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -32.810762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.810762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.810762 (E_RNA) where: Base-Base interactions energy: -9.402 where: short stacking energy: -9.402 Base-Backbone interact. energy: -0.001 local terms energy: -23.407606 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -2.860 flat angles P-C4'-P energy: -4.563 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: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -29.885441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.885441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.885441 (E_RNA) where: Base-Base interactions energy: -5.687 where: short stacking energy: -5.782 Base-Backbone interact. energy: -0.087 local terms energy: -24.112379 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -2.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -40.934601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.934601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.934601 (E_RNA) where: Base-Base interactions energy: -13.144 where: short stacking energy: -13.144 Base-Backbone interact. energy: -0.059 local terms energy: -27.732344 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -5.143 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: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -35.806397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.806397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.806397 (E_RNA) where: Base-Base interactions energy: -10.371 where: short stacking energy: -10.371 Base-Backbone interact. energy: -0.018 local terms energy: -25.417947 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -1.920 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: 91 Temperature: 1.000000 Total energy: -39.428969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.428969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.428969 (E_RNA) where: Base-Base interactions energy: -10.719 where: short stacking energy: -10.719 Base-Backbone interact. energy: -0.000 local terms energy: -28.710365 where: bonds (distance) C4'-P energy: -4.406 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -5.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -35.260850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.260850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.260850 (E_RNA) where: Base-Base interactions energy: -12.458 where: short stacking energy: -11.059 Base-Backbone interact. energy: -0.032 local terms energy: -22.770813 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.761 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: 5, replica: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -35.612722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.612722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.612722 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: 0.444 local terms energy: -26.057877 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -3.920 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: 6, replica: 9 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -32.660587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.660587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.660587 (E_RNA) where: Base-Base interactions energy: -7.178 where: short stacking energy: -7.178 Base-Backbone interact. energy: -0.710 local terms energy: -24.772228 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -4.953 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: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -33.573072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.573072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.573072 (E_RNA) where: Base-Base interactions energy: -7.384 where: short stacking energy: -7.384 Base-Backbone interact. energy: -0.100 local terms energy: -26.088668 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -5.186 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: 8, replica: 10 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -30.207399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.207399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.207399 (E_RNA) where: Base-Base interactions energy: -7.678 where: short stacking energy: -8.094 Base-Backbone interact. energy: 0.282 local terms energy: -22.811158 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -5.142 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: 9, replica: 6 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -29.573907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.573907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.573907 (E_RNA) where: Base-Base interactions energy: -7.023 where: short stacking energy: -5.711 Base-Backbone interact. energy: -0.013 local terms energy: -22.538278 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -25.776086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.776086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.776086 (E_RNA) where: Base-Base interactions energy: -6.301 where: short stacking energy: -6.301 Base-Backbone interact. energy: -0.953 local terms energy: -18.522546 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -2.908 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: 1, replica: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -38.764783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.764783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.764783 (E_RNA) where: Base-Base interactions energy: -11.916 where: short stacking energy: -11.916 Base-Backbone interact. energy: -0.256 local terms energy: -26.592550 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -5.945 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: 2, replica: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -33.696075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.696075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.696075 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.013 local terms energy: -26.280571 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -4.904 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: 3, replica: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -39.655248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.655248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.655248 (E_RNA) where: Base-Base interactions energy: -14.619 where: short stacking energy: -14.619 Base-Backbone interact. energy: -0.002 local terms energy: -25.034728 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -2.214 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: 4, replica: 8 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -35.323868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.323868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.323868 (E_RNA) where: Base-Base interactions energy: -8.931 where: short stacking energy: -8.931 Base-Backbone interact. energy: -0.016 local terms energy: -26.377064 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -34.492006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.492006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.492006 (E_RNA) where: Base-Base interactions energy: -11.227 where: short stacking energy: -11.227 Base-Backbone interact. energy: -0.001 local terms energy: -23.263850 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -4.081 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: 6, replica: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -35.370137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.370137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.370137 (E_RNA) where: Base-Base interactions energy: -9.403 where: short stacking energy: -9.403 Base-Backbone interact. energy: -0.000 local terms energy: -25.967309 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.340 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: 7, replica: 10 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -32.897801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.897801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.897801 (E_RNA) where: Base-Base interactions energy: -6.556 where: short stacking energy: -6.556 Base-Backbone interact. energy: -0.055 local terms energy: -26.287576 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -3.285 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: 8, replica: 3 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -28.945197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.945197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.945197 (E_RNA) where: Base-Base interactions energy: -7.651 where: short stacking energy: -7.651 Base-Backbone interact. energy: -0.434 local terms energy: -20.860194 where: bonds (distance) C4'-P energy: -4.511 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -5.360 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: 9, replica: 5 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -29.002563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.002563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.002563 (E_RNA) where: Base-Base interactions energy: -5.611 where: short stacking energy: -5.611 Base-Backbone interact. energy: -0.099 local terms energy: -23.292229 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: 1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -28.976025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.976025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.976025 (E_RNA) where: Base-Base interactions energy: -4.770 where: short stacking energy: -4.770 Base-Backbone interact. energy: -0.037 local terms energy: -24.169012 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -3.466 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: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -41.155710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.155710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.155710 (E_RNA) where: Base-Base interactions energy: -13.821 where: short stacking energy: -13.821 Base-Backbone interact. energy: 0.590 local terms energy: -27.924981 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -5.101 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: 1 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -30.925181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.925181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.925181 (E_RNA) where: Base-Base interactions energy: -6.784 where: short stacking energy: -6.784 Base-Backbone interact. energy: -0.292 local terms energy: -23.849599 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -35.245701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.245701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.245701 (E_RNA) where: Base-Base interactions energy: -8.790 where: short stacking energy: -7.440 Base-Backbone interact. energy: -0.174 local terms energy: -26.281233 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -5.150 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: 4, replica: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -35.706110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.706110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.706110 (E_RNA) where: Base-Base interactions energy: -10.481 where: short stacking energy: -10.607 Base-Backbone interact. energy: -0.067 local terms energy: -25.158507 where: bonds (distance) C4'-P energy: -5.566 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -4.313 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: 5, replica: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -32.829950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.829950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.829950 (E_RNA) where: Base-Base interactions energy: -8.914 where: short stacking energy: -8.914 Base-Backbone interact. energy: -0.000 local terms energy: -23.916197 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -1.764 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -4.569 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: 6, replica: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -30.013950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.013950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.013950 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -6.456 Base-Backbone interact. energy: -0.059 local terms energy: -24.298682 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -29.287679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.287679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.287679 (E_RNA) where: Base-Base interactions energy: -10.782 where: short stacking energy: -10.782 Base-Backbone interact. energy: -0.020 local terms energy: -18.485067 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -2.030 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: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -26.745937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.745937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.745937 (E_RNA) where: Base-Base interactions energy: -3.594 where: short stacking energy: -3.594 Base-Backbone interact. energy: -0.881 local terms energy: -22.270973 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -4.929 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: 9, replica: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -29.662611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.662611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.662611 (E_RNA) where: Base-Base interactions energy: -11.034 where: short stacking energy: -10.975 Base-Backbone interact. energy: 0.051 local terms energy: -18.680480 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -3.736 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -5.150 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: 6 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -30.293386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.293386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.293386 (E_RNA) where: Base-Base interactions energy: -7.529 where: short stacking energy: -7.529 Base-Backbone interact. energy: 0.218 local terms energy: -22.982603 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -2.430 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: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -45.226082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.226082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.226082 (E_RNA) where: Base-Base interactions energy: -16.843 where: short stacking energy: -16.843 Base-Backbone interact. energy: -0.041 local terms energy: -28.341629 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -41.647598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.647598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.647598 (E_RNA) where: Base-Base interactions energy: -11.757 where: short stacking energy: -11.757 Base-Backbone interact. energy: -0.004 local terms energy: -29.887114 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -4.690 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: 3, replica: 9 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -38.904054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.904054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.904054 (E_RNA) where: Base-Base interactions energy: -10.418 where: short stacking energy: -10.418 Base-Backbone interact. energy: -0.000 local terms energy: -28.485943 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -5.786 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: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -41.775163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.775163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.775163 (E_RNA) where: Base-Base interactions energy: -13.425 where: short stacking energy: -13.425 Base-Backbone interact. energy: -0.000 local terms energy: -28.350093 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -2.335 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: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -34.807535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.807535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.807535 (E_RNA) where: Base-Base interactions energy: -10.509 where: short stacking energy: -10.509 Base-Backbone interact. energy: 1.009 local terms energy: -25.308109 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -32.731898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.731898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.731898 (E_RNA) where: Base-Base interactions energy: -9.460 where: short stacking energy: -9.460 Base-Backbone interact. energy: -0.057 local terms energy: -23.215077 where: bonds (distance) C4'-P energy: -6.025 bonds (distance) P-C4' energy: -5.032 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -2.357 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: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -31.234982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.234982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.234982 (E_RNA) where: Base-Base interactions energy: -5.633 where: short stacking energy: -5.633 Base-Backbone interact. energy: -0.036 local terms energy: -25.565969 where: bonds (distance) C4'-P energy: -5.433 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -33.478066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.478066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.478066 (E_RNA) where: Base-Base interactions energy: -8.219 where: short stacking energy: -8.219 Base-Backbone interact. energy: -0.000 local terms energy: -25.259304 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -27.745051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.745051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.745051 (E_RNA) where: Base-Base interactions energy: -8.971 where: short stacking energy: -7.335 Base-Backbone interact. energy: -0.119 local terms energy: -18.655383 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -1.623 flat angles P-C4'-P energy: -4.008 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: 10, replica: 3 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -29.800843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.800843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.800843 (E_RNA) where: Base-Base interactions energy: -6.507 where: short stacking energy: -6.507 Base-Backbone interact. energy: -0.012 local terms energy: -23.281987 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -2.798 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -40.800589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.800589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.800589 (E_RNA) where: Base-Base interactions energy: -11.337 where: short stacking energy: -11.337 Base-Backbone interact. energy: -0.038 local terms energy: -29.425983 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -5.383 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: 2, replica: 9 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -40.503203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.503203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.503203 (E_RNA) where: Base-Base interactions energy: -12.360 where: short stacking energy: -12.360 Base-Backbone interact. energy: -0.008 local terms energy: -28.135282 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -34.933587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.933587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.933587 (E_RNA) where: Base-Base interactions energy: -6.644 where: short stacking energy: -6.644 Base-Backbone interact. energy: -0.066 local terms energy: -28.224226 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -5.633 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: 4, replica: 10 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -37.126165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.126165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.126165 (E_RNA) where: Base-Base interactions energy: -10.565 where: short stacking energy: -10.565 Base-Backbone interact. energy: -0.000 local terms energy: -26.561605 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -6.252 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: 5, replica: 4 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -33.043849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.043849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.043849 (E_RNA) where: Base-Base interactions energy: -6.246 where: short stacking energy: -6.246 Base-Backbone interact. energy: -0.001 local terms energy: -26.797106 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -3.760 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: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -31.463155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.463155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.463155 (E_RNA) where: Base-Base interactions energy: -9.119 where: short stacking energy: -9.119 Base-Backbone interact. energy: -0.107 local terms energy: -22.236575 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -4.708 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -5.017 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: 7, replica: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -32.408314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.408314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.408314 (E_RNA) where: Base-Base interactions energy: -9.220 where: short stacking energy: -9.220 Base-Backbone interact. energy: -0.048 local terms energy: -23.140226 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -1.954 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: 8, replica: 7 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -26.938156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.938156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.938156 (E_RNA) where: Base-Base interactions energy: -5.550 where: short stacking energy: -5.550 Base-Backbone interact. energy: -0.010 local terms energy: -21.378215 where: bonds (distance) C4'-P energy: -5.881 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -0.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -29.862520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.862520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.862520 (E_RNA) where: Base-Base interactions energy: -7.667 where: short stacking energy: -7.667 Base-Backbone interact. energy: -0.239 local terms energy: -21.956588 where: bonds (distance) C4'-P energy: -1.369 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -4.320 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: 10, replica: 3 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -27.792670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.792670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.792670 (E_RNA) where: Base-Base interactions energy: -5.864 where: short stacking energy: -5.864 Base-Backbone interact. energy: -0.000 local terms energy: -21.928969 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -3.297 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: 1, replica: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -39.486653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.486653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.486653 (E_RNA) where: Base-Base interactions energy: -13.926 where: short stacking energy: -13.926 Base-Backbone interact. energy: -0.003 local terms energy: -25.558253 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -37.523907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.523907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.523907 (E_RNA) where: Base-Base interactions energy: -10.012 where: short stacking energy: -10.012 Base-Backbone interact. energy: -0.012 local terms energy: -27.499995 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -5.700 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: 3, replica: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -31.691954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.691954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.691954 (E_RNA) where: Base-Base interactions energy: -8.078 where: short stacking energy: -8.078 Base-Backbone interact. energy: -0.102 local terms energy: -23.511528 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -3.828 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: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -36.953288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.953288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.953288 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.009 local terms energy: -27.002622 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -5.290 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: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -35.376112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.376112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.376112 (E_RNA) where: Base-Base interactions energy: -6.959 where: short stacking energy: -6.959 Base-Backbone interact. energy: -0.009 local terms energy: -28.407801 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -5.103 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: 6, replica: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -38.568080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.568080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.568080 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -11.311 Base-Backbone interact. energy: -0.333 local terms energy: -26.867762 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -3.959 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: 7, replica: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -29.779428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.779428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.779428 (E_RNA) where: Base-Base interactions energy: -7.129 where: short stacking energy: -7.129 Base-Backbone interact. energy: -0.005 local terms energy: -22.645013 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: 0.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -33.007798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.007798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.007798 (E_RNA) where: Base-Base interactions energy: -7.624 where: short stacking energy: -7.624 Base-Backbone interact. energy: -0.001 local terms energy: -25.382703 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -4.157 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: 9, replica: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -30.324316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.324316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.324316 (E_RNA) where: Base-Base interactions energy: -8.412 where: short stacking energy: -8.412 Base-Backbone interact. energy: -0.007 local terms energy: -21.904414 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -5.771 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -4.257 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: 10, replica: 6 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -26.582555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.582555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.582555 (E_RNA) where: Base-Base interactions energy: -1.878 where: short stacking energy: -1.878 Base-Backbone interact. energy: -0.000 local terms energy: -24.704562 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -3.578 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: 1, replica: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -37.549903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.549903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.549903 (E_RNA) where: Base-Base interactions energy: -10.310 where: short stacking energy: -10.310 Base-Backbone interact. energy: -0.264 local terms energy: -26.976597 where: bonds (distance) C4'-P energy: -5.397 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -33.477696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.477696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.477696 (E_RNA) where: Base-Base interactions energy: -11.748 where: short stacking energy: -11.748 Base-Backbone interact. energy: -0.007 local terms energy: -21.722063 where: bonds (distance) C4'-P energy: -4.333 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -4.379 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: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -37.536942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.536942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.536942 (E_RNA) where: Base-Base interactions energy: -10.358 where: short stacking energy: -10.358 Base-Backbone interact. energy: -0.001 local terms energy: -27.178069 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -5.660 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: 4, replica: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -36.945669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.945669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.945669 (E_RNA) where: Base-Base interactions energy: -13.759 where: short stacking energy: -13.759 Base-Backbone interact. energy: -0.113 local terms energy: -23.073793 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -3.860 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -5.375 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: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -28.255899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.255899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.255899 (E_RNA) where: Base-Base interactions energy: -4.124 where: short stacking energy: -4.124 Base-Backbone interact. energy: -0.037 local terms energy: -24.095436 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -35.781386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.781386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.781386 (E_RNA) where: Base-Base interactions energy: -11.770 where: short stacking energy: -11.770 Base-Backbone interact. energy: -0.000 local terms energy: -24.011612 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -4.997 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -32.471494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.471494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.471494 (E_RNA) where: Base-Base interactions energy: -10.573 where: short stacking energy: -10.573 Base-Backbone interact. energy: -0.003 local terms energy: -21.895918 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -1.293 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: 8, replica: 3 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -34.832454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.832454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.832454 (E_RNA) where: Base-Base interactions energy: -9.423 where: short stacking energy: -9.423 Base-Backbone interact. energy: -0.019 local terms energy: -25.391066 where: bonds (distance) C4'-P energy: -3.427 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -4.689 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: 9, replica: 5 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -29.875247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.875247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.875247 (E_RNA) where: Base-Base interactions energy: -6.682 where: short stacking energy: -6.682 Base-Backbone interact. energy: -0.000 local terms energy: -23.193336 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -5.002 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: 10, replica: 6 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -33.991420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.991420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.991420 (E_RNA) where: Base-Base interactions energy: -9.443 where: short stacking energy: -9.443 Base-Backbone interact. energy: -0.002 local terms energy: -24.546475 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -4.192 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: 1, replica: 10 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -42.004555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.004555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.004555 (E_RNA) where: Base-Base interactions energy: -14.700 where: short stacking energy: -14.700 Base-Backbone interact. energy: -0.000 local terms energy: -27.304354 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -2.745 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -35.148121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.148121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.148121 (E_RNA) where: Base-Base interactions energy: -8.760 where: short stacking energy: -8.760 Base-Backbone interact. energy: -0.070 local terms energy: -26.318366 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -4.233 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: 3, replica: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -32.043668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.043668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.043668 (E_RNA) where: Base-Base interactions energy: -5.881 where: short stacking energy: -5.881 Base-Backbone interact. energy: -0.018 local terms energy: -26.144472 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -5.077 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: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -34.247095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.247095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.247095 (E_RNA) where: Base-Base interactions energy: -10.553 where: short stacking energy: -10.653 Base-Backbone interact. energy: -0.066 local terms energy: -23.627268 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -2.625 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: 5, replica: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -32.022915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.022915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.022915 (E_RNA) where: Base-Base interactions energy: -8.058 where: short stacking energy: -8.058 Base-Backbone interact. energy: -0.051 local terms energy: -23.913669 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -3.645 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: 6, replica: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -33.785603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.785603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.785603 (E_RNA) where: Base-Base interactions energy: -6.009 where: short stacking energy: -6.009 Base-Backbone interact. energy: -0.003 local terms energy: -27.773684 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -5.199 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: 7, replica: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -34.313191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.313191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.313191 (E_RNA) where: Base-Base interactions energy: -11.733 where: short stacking energy: -11.514 Base-Backbone interact. energy: -0.001 local terms energy: -22.578683 where: bonds (distance) C4'-P energy: -2.561 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -5.612 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: 3 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -29.421108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.421108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.421108 (E_RNA) where: Base-Base interactions energy: -3.464 where: short stacking energy: -3.464 Base-Backbone interact. energy: -0.155 local terms energy: -25.802171 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -32.491089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.491089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.491089 (E_RNA) where: Base-Base interactions energy: -7.574 where: short stacking energy: -7.563 Base-Backbone interact. energy: -0.002 local terms energy: -24.915094 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -3.840 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: 10, replica: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -31.361643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.361643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.361643 (E_RNA) where: Base-Base interactions energy: -9.118 where: short stacking energy: -9.118 Base-Backbone interact. energy: 0.119 local terms energy: -22.362112 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -39.682524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.682524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.682524 (E_RNA) where: Base-Base interactions energy: -10.223 where: short stacking energy: -10.223 Base-Backbone interact. energy: -0.000 local terms energy: -29.459927 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -38.930520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.930520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.930520 (E_RNA) where: Base-Base interactions energy: -13.744 where: short stacking energy: -13.744 Base-Backbone interact. energy: -0.000 local terms energy: -25.186588 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -4.083 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: 9 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -33.477949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.477949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.477949 (E_RNA) where: Base-Base interactions energy: -7.897 where: short stacking energy: -7.897 Base-Backbone interact. energy: -0.486 local terms energy: -25.095563 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -3.488 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: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -35.060929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.060929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.060929 (E_RNA) where: Base-Base interactions energy: -8.628 where: short stacking energy: -8.628 Base-Backbone interact. energy: -0.004 local terms energy: -26.429412 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -4.963 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: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -29.072785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.072785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.072785 (E_RNA) where: Base-Base interactions energy: -7.710 where: short stacking energy: -7.710 Base-Backbone interact. energy: -1.077 local terms energy: -20.286079 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.339 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: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -32.646272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.646272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.646272 (E_RNA) where: Base-Base interactions energy: -11.270 where: short stacking energy: -9.963 Base-Backbone interact. energy: -0.002 local terms energy: -21.374241 where: bonds (distance) C4'-P energy: -1.790 bonds (distance) P-C4' energy: -4.645 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -30.936666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.936666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.936666 (E_RNA) where: Base-Base interactions energy: -9.074 where: short stacking energy: -9.074 Base-Backbone interact. energy: -0.001 local terms energy: -21.862131 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -30.647693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.647693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.647693 (E_RNA) where: Base-Base interactions energy: -11.650 where: short stacking energy: -11.650 Base-Backbone interact. energy: -0.004 local terms energy: -18.994109 where: bonds (distance) C4'-P energy: -3.435 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -4.273 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: 9, replica: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -30.875263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.875263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.875263 (E_RNA) where: Base-Base interactions energy: -4.407 where: short stacking energy: -2.974 Base-Backbone interact. energy: -0.205 local terms energy: -26.263794 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -30.849274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.849274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.849274 (E_RNA) where: Base-Base interactions energy: -7.207 where: short stacking energy: -7.207 Base-Backbone interact. energy: -0.101 local terms energy: -23.542030 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -3.860 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: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -37.331274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.331274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.331274 (E_RNA) where: Base-Base interactions energy: -8.829 where: short stacking energy: -8.829 Base-Backbone interact. energy: -0.084 local terms energy: -28.418339 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -4.853 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: 2, replica: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -39.048366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.048366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.048366 (E_RNA) where: Base-Base interactions energy: -11.423 where: short stacking energy: -11.423 Base-Backbone interact. energy: -0.055 local terms energy: -27.570354 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -2.032 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: 3, replica: 9 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -36.395278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.395278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.395278 (E_RNA) where: Base-Base interactions energy: -11.456 where: short stacking energy: -11.456 Base-Backbone interact. energy: -0.281 local terms energy: -24.657633 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.237 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: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -33.185824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.185824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.185824 (E_RNA) where: Base-Base interactions energy: -9.374 where: short stacking energy: -9.374 Base-Backbone interact. energy: -0.000 local terms energy: -23.811668 where: bonds (distance) C4'-P energy: -4.738 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -4.662 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: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -36.650622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.650622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.650622 (E_RNA) where: Base-Base interactions energy: -11.333 where: short stacking energy: -11.333 Base-Backbone interact. energy: -0.091 local terms energy: -25.226712 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -29.520112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.520112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.520112 (E_RNA) where: Base-Base interactions energy: -10.624 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.091 local terms energy: -18.805281 where: bonds (distance) C4'-P energy: -3.116 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -0.083 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: 7, replica: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -37.684281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.684281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.684281 (E_RNA) where: Base-Base interactions energy: -10.150 where: short stacking energy: -9.901 Base-Backbone interact. energy: -0.008 local terms energy: -27.527019 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -29.306920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.306920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.306920 (E_RNA) where: Base-Base interactions energy: -3.697 where: short stacking energy: -3.697 Base-Backbone interact. energy: -0.052 local terms energy: -25.557669 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -5.743 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: 9, replica: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -33.313806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.313806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.313806 (E_RNA) where: Base-Base interactions energy: -8.614 where: short stacking energy: -8.614 Base-Backbone interact. energy: -0.088 local terms energy: -24.611962 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -27.953502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.953502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.953502 (E_RNA) where: Base-Base interactions energy: -5.296 where: short stacking energy: -3.768 Base-Backbone interact. energy: -0.000 local terms energy: -22.657400 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -1.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -41.345627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.345627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.345627 (E_RNA) where: Base-Base interactions energy: -16.833 where: short stacking energy: -15.428 Base-Backbone interact. energy: -0.116 local terms energy: -24.396523 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -3.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -38.357496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.357496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.357496 (E_RNA) where: Base-Base interactions energy: -10.625 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.026 local terms energy: -27.705869 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -4.335 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: 3, replica: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -35.173817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.173817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.173817 (E_RNA) where: Base-Base interactions energy: -7.587 where: short stacking energy: -7.587 Base-Backbone interact. energy: -0.012 local terms energy: -27.575031 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.467 flat angles P-C4'-P energy: -6.141 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: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -38.881568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.881568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.881568 (E_RNA) where: Base-Base interactions energy: -10.547 where: short stacking energy: -10.547 Base-Backbone interact. energy: -0.041 local terms energy: -28.293927 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -4.366 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: 5, replica: 4 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -32.415953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.415953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.415953 (E_RNA) where: Base-Base interactions energy: -11.131 where: short stacking energy: -11.131 Base-Backbone interact. energy: -0.001 local terms energy: -21.284227 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -2.465 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: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -32.629842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.629842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.629842 (E_RNA) where: Base-Base interactions energy: -11.073 where: short stacking energy: -11.073 Base-Backbone interact. energy: -0.000 local terms energy: -21.557197 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -3.091 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -2.446 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: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -30.695626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.695626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.695626 (E_RNA) where: Base-Base interactions energy: -5.216 where: short stacking energy: -5.216 Base-Backbone interact. energy: -0.004 local terms energy: -25.475530 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -2.130 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: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -30.090902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.090902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.090902 (E_RNA) where: Base-Base interactions energy: -6.111 where: short stacking energy: -6.111 Base-Backbone interact. energy: -0.007 local terms energy: -23.972597 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -25.639671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.639671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.639671 (E_RNA) where: Base-Base interactions energy: -2.933 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.455 local terms energy: -22.250899 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: 1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -33.879934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.879934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.879934 (E_RNA) where: Base-Base interactions energy: -6.438 where: short stacking energy: -6.438 Base-Backbone interact. energy: -0.000 local terms energy: -27.442170 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -45.758810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.758810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.758810 (E_RNA) where: Base-Base interactions energy: -14.984 where: short stacking energy: -14.984 Base-Backbone interact. energy: -0.000 local terms energy: -30.774676 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -6.233 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: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -40.695410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.695410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.695410 (E_RNA) where: Base-Base interactions energy: -14.006 where: short stacking energy: -14.006 Base-Backbone interact. energy: -0.003 local terms energy: -26.685589 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -4.974 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -5.877 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: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -34.806566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.806566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.806566 (E_RNA) where: Base-Base interactions energy: -9.753 where: short stacking energy: -9.753 Base-Backbone interact. energy: -0.000 local terms energy: -25.053031 where: bonds (distance) C4'-P energy: -4.196 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -3.090 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: 10 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -35.199062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.199062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.199062 (E_RNA) where: Base-Base interactions energy: -11.068 where: short stacking energy: -11.068 Base-Backbone interact. energy: -0.038 local terms energy: -24.092946 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -4.174 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: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -27.867568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.867568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.867568 (E_RNA) where: Base-Base interactions energy: -4.454 where: short stacking energy: -2.760 Base-Backbone interact. energy: -0.196 local terms energy: -23.217126 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: 0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -32.980166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.980166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.980166 (E_RNA) where: Base-Base interactions energy: -10.128 where: short stacking energy: -10.128 Base-Backbone interact. energy: -0.006 local terms energy: -22.845815 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -31.544198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.544198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.544198 (E_RNA) where: Base-Base interactions energy: -5.351 where: short stacking energy: -5.351 Base-Backbone interact. energy: -0.001 local terms energy: -26.192035 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -5.640 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: 8, replica: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -30.735738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.735738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.735738 (E_RNA) where: Base-Base interactions energy: -6.900 where: short stacking energy: -6.900 Base-Backbone interact. energy: -0.001 local terms energy: -23.835097 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: -0.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -29.283620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.283620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.283620 (E_RNA) where: Base-Base interactions energy: -7.863 where: short stacking energy: -7.863 Base-Backbone interact. energy: -0.001 local terms energy: -21.418752 where: bonds (distance) C4'-P energy: -4.465 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -2.747 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: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -28.533547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.533547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.533547 (E_RNA) where: Base-Base interactions energy: -6.055 where: short stacking energy: -6.055 Base-Backbone interact. energy: -0.000 local terms energy: -22.477860 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -1.720 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -38.983212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.983212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.983212 (E_RNA) where: Base-Base interactions energy: -13.714 where: short stacking energy: -13.714 Base-Backbone interact. energy: -0.004 local terms energy: -25.265532 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -5.055 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: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -40.274655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.274655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.274655 (E_RNA) where: Base-Base interactions energy: -12.447 where: short stacking energy: -12.447 Base-Backbone interact. energy: -0.000 local terms energy: -27.827126 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -2.830 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: 3, replica: 8 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -33.553580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.553580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.553580 (E_RNA) where: Base-Base interactions energy: -12.649 where: short stacking energy: -9.940 Base-Backbone interact. energy: -0.019 local terms energy: -20.885332 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: 1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -37.830252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.830252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.830252 (E_RNA) where: Base-Base interactions energy: -10.170 where: short stacking energy: -10.170 Base-Backbone interact. energy: -0.035 local terms energy: -27.625480 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -5.145 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: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -33.362409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.362409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.362409 (E_RNA) where: Base-Base interactions energy: -10.309 where: short stacking energy: -10.325 Base-Backbone interact. energy: -0.087 local terms energy: -22.967135 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.553 flat angles C4'-P-C4' energy: -3.039 flat angles P-C4'-P energy: -5.768 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: 6, replica: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -30.589411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.589411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.589411 (E_RNA) where: Base-Base interactions energy: -8.896 where: short stacking energy: -8.896 Base-Backbone interact. energy: -0.000 local terms energy: -21.693184 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -4.277 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: 7, replica: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -30.853058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.853058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.853058 (E_RNA) where: Base-Base interactions energy: -6.681 where: short stacking energy: -6.681 Base-Backbone interact. energy: -0.001 local terms energy: -24.170847 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.077 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -28.875320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.875320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.875320 (E_RNA) where: Base-Base interactions energy: -7.068 where: short stacking energy: -7.068 Base-Backbone interact. energy: -0.016 local terms energy: -21.791385 where: bonds (distance) C4'-P energy: -1.302 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -30.279044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.279044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.279044 (E_RNA) where: Base-Base interactions energy: -7.265 where: short stacking energy: -7.265 Base-Backbone interact. energy: -0.093 local terms energy: -22.921085 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -3.250 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -28.030259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.030259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.030259 (E_RNA) where: Base-Base interactions energy: -7.392 where: short stacking energy: -7.392 Base-Backbone interact. energy: -0.069 local terms energy: -20.569401 where: bonds (distance) C4'-P energy: -3.816 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -5.060 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: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -38.218352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.218352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.218352 (E_RNA) where: Base-Base interactions energy: -11.825 where: short stacking energy: -11.825 Base-Backbone interact. energy: -0.002 local terms energy: -26.391226 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -4.529 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: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -38.026710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.026710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.026710 (E_RNA) where: Base-Base interactions energy: -10.477 where: short stacking energy: -10.534 Base-Backbone interact. energy: -0.022 local terms energy: -27.528166 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -5.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -31.379809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.379809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.379809 (E_RNA) where: Base-Base interactions energy: -9.217 where: short stacking energy: -9.217 Base-Backbone interact. energy: -0.011 local terms energy: -22.150964 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -2.276 tors. eta vs tors. theta energy: -1.304 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: 8 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -32.342358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.342358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.342358 (E_RNA) where: Base-Base interactions energy: -10.654 where: short stacking energy: -10.654 Base-Backbone interact. energy: -0.253 local terms energy: -21.435071 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -2.275 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: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -33.588107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.588107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.588107 (E_RNA) where: Base-Base interactions energy: -6.956 where: short stacking energy: -6.956 Base-Backbone interact. energy: -0.028 local terms energy: -26.604251 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -29.767844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.767844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.767844 (E_RNA) where: Base-Base interactions energy: -7.129 where: short stacking energy: -7.129 Base-Backbone interact. energy: -0.140 local terms energy: -22.498983 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -30.501540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.501540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.501540 (E_RNA) where: Base-Base interactions energy: -5.920 where: short stacking energy: -5.920 Base-Backbone interact. energy: -0.055 local terms energy: -24.526504 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -1.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -32.318511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.318511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.318511 (E_RNA) where: Base-Base interactions energy: -5.172 where: short stacking energy: -3.816 Base-Backbone interact. energy: 0.139 local terms energy: -27.285527 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -6.044 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: 9, replica: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -30.542917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.542917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.542917 (E_RNA) where: Base-Base interactions energy: -8.055 where: short stacking energy: -8.055 Base-Backbone interact. energy: -0.000 local terms energy: -22.488207 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -2.591 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -3.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -27.760188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.760188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.760188 (E_RNA) where: Base-Base interactions energy: -5.578 where: short stacking energy: -5.630 Base-Backbone interact. energy: -0.000 local terms energy: -22.181839 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -2.634 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: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -36.949434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.949434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.949434 (E_RNA) where: Base-Base interactions energy: -9.850 where: short stacking energy: -8.942 Base-Backbone interact. energy: -0.195 local terms energy: -26.904615 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -4.298 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: 2, replica: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -38.726506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.726506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.726506 (E_RNA) where: Base-Base interactions energy: -10.775 where: short stacking energy: -10.775 Base-Backbone interact. energy: -0.001 local terms energy: -27.950235 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -4.454 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: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -35.231512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.231512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.231512 (E_RNA) where: Base-Base interactions energy: -10.924 where: short stacking energy: -10.924 Base-Backbone interact. energy: -0.006 local terms energy: -24.301144 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -4.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -33.503809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.503809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.503809 (E_RNA) where: Base-Base interactions energy: -6.447 where: short stacking energy: -6.447 Base-Backbone interact. energy: -0.004 local terms energy: -27.053132 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -4.247 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: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -32.004052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.004052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.004052 (E_RNA) where: Base-Base interactions energy: -5.404 where: short stacking energy: -5.404 Base-Backbone interact. energy: -0.006 local terms energy: -26.593203 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -5.385 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -4.350 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: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -36.077789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.077789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.077789 (E_RNA) where: Base-Base interactions energy: -8.591 where: short stacking energy: -8.591 Base-Backbone interact. energy: -0.000 local terms energy: -27.486841 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -4.439 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: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -38.611742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.611742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.611742 (E_RNA) where: Base-Base interactions energy: -13.109 where: short stacking energy: -13.109 Base-Backbone interact. energy: -0.002 local terms energy: -25.500729 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -5.459 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: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -33.703951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.703951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.703951 (E_RNA) where: Base-Base interactions energy: -8.126 where: short stacking energy: -8.126 Base-Backbone interact. energy: -0.087 local terms energy: -25.490151 where: bonds (distance) C4'-P energy: -6.970 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -3.073 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: 9, replica: 4 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -29.435833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.435833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.435833 (E_RNA) where: Base-Base interactions energy: -5.453 where: short stacking energy: -5.453 Base-Backbone interact. energy: -0.358 local terms energy: -23.624082 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: 0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -27.067380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.067380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.067380 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.023 local terms energy: -19.737400 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -3.789 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -39.612543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.612543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.612543 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.005 local terms energy: -26.558565 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -39.824877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.824877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.824877 (E_RNA) where: Base-Base interactions energy: -13.015 where: short stacking energy: -13.015 Base-Backbone interact. energy: -0.000 local terms energy: -26.809604 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -2.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -36.267046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.267046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.267046 (E_RNA) where: Base-Base interactions energy: -7.316 where: short stacking energy: -7.316 Base-Backbone interact. energy: -0.000 local terms energy: -28.950552 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -4.997 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: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -32.732502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.732502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.732502 (E_RNA) where: Base-Base interactions energy: -5.888 where: short stacking energy: -5.888 Base-Backbone interact. energy: -0.000 local terms energy: -26.844508 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -4.948 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: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -34.789476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.789476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.789476 (E_RNA) where: Base-Base interactions energy: -7.513 where: short stacking energy: -7.513 Base-Backbone interact. energy: -1.103 local terms energy: -26.173336 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -33.736809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.736809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.736809 (E_RNA) where: Base-Base interactions energy: -8.387 where: short stacking energy: -8.387 Base-Backbone interact. energy: -0.111 local terms energy: -25.238563 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -2.782 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: 7, replica: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -31.452975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.452975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.452975 (E_RNA) where: Base-Base interactions energy: -8.666 where: short stacking energy: -5.433 Base-Backbone interact. energy: -0.111 local terms energy: -22.676293 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -3.281 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: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -29.326003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.326003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.326003 (E_RNA) where: Base-Base interactions energy: -7.762 where: short stacking energy: -7.762 Base-Backbone interact. energy: -0.020 local terms energy: -21.544269 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -2.495 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: 9, replica: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -30.971718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.971718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.971718 (E_RNA) where: Base-Base interactions energy: -6.072 where: short stacking energy: -6.072 Base-Backbone interact. energy: -0.110 local terms energy: -24.789989 where: bonds (distance) C4'-P energy: -6.159 bonds (distance) P-C4' energy: -6.286 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -0.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -28.512094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.512094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.512094 (E_RNA) where: Base-Base interactions energy: -6.350 where: short stacking energy: -6.350 Base-Backbone interact. energy: -0.001 local terms energy: -22.161821 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -0.550 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -39.917458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.917458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.917458 (E_RNA) where: Base-Base interactions energy: -11.408 where: short stacking energy: -11.408 Base-Backbone interact. energy: -0.001 local terms energy: -28.508089 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -4.697 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: 2, replica: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -38.619721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.619721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.619721 (E_RNA) where: Base-Base interactions energy: -13.227 where: short stacking energy: -11.575 Base-Backbone interact. energy: -0.010 local terms energy: -25.382832 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -1.747 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -34.797161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.797161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.797161 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.000 local terms energy: -23.214013 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -3.984 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: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -31.544129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.544129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.544129 (E_RNA) where: Base-Base interactions energy: -9.097 where: short stacking energy: -9.097 Base-Backbone interact. energy: -0.003 local terms energy: -22.444338 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -4.064 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: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -32.635042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.635042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.635042 (E_RNA) where: Base-Base interactions energy: -9.317 where: short stacking energy: -9.317 Base-Backbone interact. energy: -0.000 local terms energy: -23.317925 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -5.053 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -3.998 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: 6, replica: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -31.650400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.650400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.650400 (E_RNA) where: Base-Base interactions energy: -5.089 where: short stacking energy: -5.089 Base-Backbone interact. energy: -0.007 local terms energy: -26.554153 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -4.489 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: 7, replica: 1 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -34.653942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.653942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.653942 (E_RNA) where: Base-Base interactions energy: -8.079 where: short stacking energy: -6.882 Base-Backbone interact. energy: -0.050 local terms energy: -26.525028 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -3.808 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: 8, replica: 7 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -28.424753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.424753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.424753 (E_RNA) where: Base-Base interactions energy: -6.226 where: short stacking energy: -6.226 Base-Backbone interact. energy: -0.064 local terms energy: -22.134663 where: bonds (distance) C4'-P energy: -4.642 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -1.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -36.353016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.353016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.353016 (E_RNA) where: Base-Base interactions energy: -10.582 where: short stacking energy: -10.582 Base-Backbone interact. energy: -0.018 local terms energy: -25.753158 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -2.660 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: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -28.560695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.560695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.560695 (E_RNA) where: Base-Base interactions energy: -7.808 where: short stacking energy: -7.808 Base-Backbone interact. energy: -0.119 local terms energy: -20.633658 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.913 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -4.241 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: 1, replica: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -36.879129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.879129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.879129 (E_RNA) where: Base-Base interactions energy: -11.753 where: short stacking energy: -11.753 Base-Backbone interact. energy: -0.000 local terms energy: -25.125639 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.637 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -36.375500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.375500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.375500 (E_RNA) where: Base-Base interactions energy: -10.738 where: short stacking energy: -10.738 Base-Backbone interact. energy: -0.023 local terms energy: -25.614900 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -4.704 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -38.645144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.645144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.645144 (E_RNA) where: Base-Base interactions energy: -10.934 where: short stacking energy: -10.934 Base-Backbone interact. energy: -0.075 local terms energy: -27.636034 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -36.282437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.282437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.282437 (E_RNA) where: Base-Base interactions energy: -11.576 where: short stacking energy: -11.576 Base-Backbone interact. energy: -0.000 local terms energy: -24.706923 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -2.497 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: 5, replica: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -33.074253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.074253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.074253 (E_RNA) where: Base-Base interactions energy: -7.671 where: short stacking energy: -7.671 Base-Backbone interact. energy: -0.002 local terms energy: -25.401174 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -38.150863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.150863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.150863 (E_RNA) where: Base-Base interactions energy: -13.722 where: short stacking energy: -13.722 Base-Backbone interact. energy: -0.094 local terms energy: -24.335312 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -2.511 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -5.597 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: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -28.088414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.088414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.088414 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.417 local terms energy: -19.943469 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -1.942 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: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -32.141824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.141824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.141824 (E_RNA) where: Base-Base interactions energy: -10.296 where: short stacking energy: -10.296 Base-Backbone interact. energy: -0.098 local terms energy: -21.748242 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -1.992 flat angles P-C4'-P energy: -4.117 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: 9, replica: 4 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -28.830974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.830974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.830974 (E_RNA) where: Base-Base interactions energy: -2.682 where: short stacking energy: -2.682 Base-Backbone interact. energy: -0.053 local terms energy: -26.096336 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -2.910 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -28.952711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.952711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.952711 (E_RNA) where: Base-Base interactions energy: -7.608 where: short stacking energy: -7.608 Base-Backbone interact. energy: -0.042 local terms energy: -21.302326 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -3.672 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: 1, replica: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -37.890824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.890824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.890824 (E_RNA) where: Base-Base interactions energy: -10.664 where: short stacking energy: -10.664 Base-Backbone interact. energy: -0.128 local terms energy: -27.099007 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -3.579 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: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -39.057690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.057690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.057690 (E_RNA) where: Base-Base interactions energy: -10.824 where: short stacking energy: -10.824 Base-Backbone interact. energy: -0.000 local terms energy: -28.234082 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -5.092 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: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -37.985386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.985386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.985386 (E_RNA) where: Base-Base interactions energy: -12.521 where: short stacking energy: -12.521 Base-Backbone interact. energy: -0.098 local terms energy: -25.366281 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -5.316 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: 4, replica: 8 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -31.307099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.307099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.307099 (E_RNA) where: Base-Base interactions energy: -7.813 where: short stacking energy: -7.813 Base-Backbone interact. energy: -0.000 local terms energy: -23.494286 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -2.187 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: 5, replica: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -40.340507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.340507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.340507 (E_RNA) where: Base-Base interactions energy: -12.084 where: short stacking energy: -12.084 Base-Backbone interact. energy: -0.000 local terms energy: -28.256419 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -4.238 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: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -31.698759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.698759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.698759 (E_RNA) where: Base-Base interactions energy: -8.761 where: short stacking energy: -8.761 Base-Backbone interact. energy: -0.001 local terms energy: -22.936503 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -5.053 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: 7, replica: 2 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -30.840955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.840955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.840955 (E_RNA) where: Base-Base interactions energy: -6.668 where: short stacking energy: -6.668 Base-Backbone interact. energy: -0.000 local terms energy: -24.172531 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.569 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -2.544 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -39.086074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.086074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.086074 (E_RNA) where: Base-Base interactions energy: -9.947 where: short stacking energy: -9.947 Base-Backbone interact. energy: -0.000 local terms energy: -29.138751 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -5.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -28.453415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.453415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.453415 (E_RNA) where: Base-Base interactions energy: -2.987 where: short stacking energy: -2.987 Base-Backbone interact. energy: -0.655 local terms energy: -24.811838 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -5.396 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: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -29.500558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.500558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.500558 (E_RNA) where: Base-Base interactions energy: -7.111 where: short stacking energy: -7.111 Base-Backbone interact. energy: 1.223 local terms energy: -23.612601 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -5.582 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: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -43.160828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.160828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.160828 (E_RNA) where: Base-Base interactions energy: -15.430 where: short stacking energy: -15.430 Base-Backbone interact. energy: -0.039 local terms energy: -27.691532 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -36.796929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.796929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.796929 (E_RNA) where: Base-Base interactions energy: -14.736 where: short stacking energy: -14.736 Base-Backbone interact. energy: -0.001 local terms energy: -22.059610 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -36.821680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.821680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.821680 (E_RNA) where: Base-Base interactions energy: -11.034 where: short stacking energy: -11.034 Base-Backbone interact. energy: -0.000 local terms energy: -25.787467 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -4.168 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: 4, replica: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -31.642655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.642655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.642655 (E_RNA) where: Base-Base interactions energy: -6.753 where: short stacking energy: -6.753 Base-Backbone interact. energy: -0.000 local terms energy: -24.889490 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -35.386731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.386731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.386731 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.012 local terms energy: -23.855312 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.192 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -33.835703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.835703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.835703 (E_RNA) where: Base-Base interactions energy: -9.839 where: short stacking energy: -9.839 Base-Backbone interact. energy: -0.148 local terms energy: -23.848365 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -3.503 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: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -35.246048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.246048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.246048 (E_RNA) where: Base-Base interactions energy: -11.598 where: short stacking energy: -11.598 Base-Backbone interact. energy: -0.001 local terms energy: -23.647568 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -2.773 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: 8, replica: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -32.966627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.966627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.966627 (E_RNA) where: Base-Base interactions energy: -9.144 where: short stacking energy: -9.144 Base-Backbone interact. energy: -0.000 local terms energy: -23.823063 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -1.284 tors. eta vs tors. theta energy: -3.041 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: 110 Temperature: 1.300000 Total energy: -32.292458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.292458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.292458 (E_RNA) where: Base-Base interactions energy: -9.012 where: short stacking energy: -9.012 Base-Backbone interact. energy: -0.006 local terms energy: -23.274410 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -29.157560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.157560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.157560 (E_RNA) where: Base-Base interactions energy: -5.627 where: short stacking energy: -5.627 Base-Backbone interact. energy: -0.000 local terms energy: -23.530814 where: bonds (distance) C4'-P energy: -4.766 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -2.450 flat angles P-C4'-P energy: -5.111 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: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -39.848841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.848841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.848841 (E_RNA) where: Base-Base interactions energy: -11.848 where: short stacking energy: -11.848 Base-Backbone interact. energy: -0.000 local terms energy: -28.000458 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -34.055463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.055463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.055463 (E_RNA) where: Base-Base interactions energy: -7.405 where: short stacking energy: -7.405 Base-Backbone interact. energy: -0.000 local terms energy: -26.650385 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -37.614238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.614238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.614238 (E_RNA) where: Base-Base interactions energy: -9.683 where: short stacking energy: -9.683 Base-Backbone interact. energy: -0.019 local terms energy: -27.912359 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -3.858 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: 4, replica: 7 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -34.266766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.266766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.266766 (E_RNA) where: Base-Base interactions energy: -9.568 where: short stacking energy: -9.568 Base-Backbone interact. energy: -0.012 local terms energy: -24.686299 where: bonds (distance) C4'-P energy: -4.435 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -30.257900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.257900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.257900 (E_RNA) where: Base-Base interactions energy: -6.526 where: short stacking energy: -6.526 Base-Backbone interact. energy: -0.009 local terms energy: -23.723266 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -4.874 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: 6, replica: 4 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -29.025800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.025800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.025800 (E_RNA) where: Base-Base interactions energy: -5.167 where: short stacking energy: -5.167 Base-Backbone interact. energy: -0.112 local terms energy: -23.746407 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.392 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -28.136489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.136489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.136489 (E_RNA) where: Base-Base interactions energy: -4.173 where: short stacking energy: -4.173 Base-Backbone interact. energy: -0.398 local terms energy: -23.565571 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -5.886 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: 10 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -30.540899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.540899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.540899 (E_RNA) where: Base-Base interactions energy: -6.250 where: short stacking energy: -6.250 Base-Backbone interact. energy: -0.015 local terms energy: -24.275473 where: bonds (distance) C4'-P energy: -4.900 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -31.670057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.670057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.670057 (E_RNA) where: Base-Base interactions energy: -8.202 where: short stacking energy: -8.202 Base-Backbone interact. energy: -0.029 local terms energy: -23.439504 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -3.719 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: 10, replica: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -32.212414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.212414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.212414 (E_RNA) where: Base-Base interactions energy: -7.637 where: short stacking energy: -7.637 Base-Backbone interact. energy: -0.000 local terms energy: -24.574910 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -5.321 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -40.239602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.239602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.239602 (E_RNA) where: Base-Base interactions energy: -13.259 where: short stacking energy: -13.259 Base-Backbone interact. energy: -0.069 local terms energy: -26.911227 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -4.990 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: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -36.764006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.764006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.764006 (E_RNA) where: Base-Base interactions energy: -11.994 where: short stacking energy: -11.994 Base-Backbone interact. energy: -0.000 local terms energy: -24.769685 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -3.141 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: 3, replica: 7 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -38.463697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.463697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.463697 (E_RNA) where: Base-Base interactions energy: -10.232 where: short stacking energy: -10.232 Base-Backbone interact. energy: -0.099 local terms energy: -28.132501 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -4.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -33.034919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.034919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.034919 (E_RNA) where: Base-Base interactions energy: -6.294 where: short stacking energy: -6.294 Base-Backbone interact. energy: -0.000 local terms energy: -26.740599 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -5.870 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: 5, replica: 4 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -34.366522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.366522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.366522 (E_RNA) where: Base-Base interactions energy: -9.362 where: short stacking energy: -9.362 Base-Backbone interact. energy: -0.000 local terms energy: -25.004529 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -5.985 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: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -31.588173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.588173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.588173 (E_RNA) where: Base-Base interactions energy: -4.382 where: short stacking energy: -4.382 Base-Backbone interact. energy: -0.000 local terms energy: -27.205520 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -5.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -31.853776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.853776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.853776 (E_RNA) where: Base-Base interactions energy: -7.777 where: short stacking energy: -7.230 Base-Backbone interact. energy: -0.816 local terms energy: -23.260123 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -35.772678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.772678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.772678 (E_RNA) where: Base-Base interactions energy: -11.960 where: short stacking energy: -11.960 Base-Backbone interact. energy: -0.000 local terms energy: -23.812974 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -4.855 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -28.598663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.598663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.598663 (E_RNA) where: Base-Base interactions energy: -6.588 where: short stacking energy: -6.588 Base-Backbone interact. energy: -0.006 local terms energy: -22.005580 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -3.568 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: 10, replica: 2 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -28.938034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.938034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.938034 (E_RNA) where: Base-Base interactions energy: -5.125 where: short stacking energy: -4.659 Base-Backbone interact. energy: -0.004 local terms energy: -23.809252 where: bonds (distance) C4'-P energy: -4.005 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -4.785 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: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -38.100346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.100346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.100346 (E_RNA) where: Base-Base interactions energy: -13.560 where: short stacking energy: -10.488 Base-Backbone interact. energy: -0.012 local terms energy: -24.529097 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -5.076 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: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -35.381652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.381652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.381652 (E_RNA) where: Base-Base interactions energy: -6.386 where: short stacking energy: -6.386 Base-Backbone interact. energy: -1.856 local terms energy: -27.139401 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -33.694743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.694743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.694743 (E_RNA) where: Base-Base interactions energy: -5.177 where: short stacking energy: -5.177 Base-Backbone interact. energy: -0.002 local terms energy: -28.516350 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -4.385 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: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -36.156993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.156993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.156993 (E_RNA) where: Base-Base interactions energy: -10.269 where: short stacking energy: -10.269 Base-Backbone interact. energy: -0.014 local terms energy: -25.874370 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -2.149 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: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -37.151638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.151638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.151638 (E_RNA) where: Base-Base interactions energy: -7.757 where: short stacking energy: -7.757 Base-Backbone interact. energy: -0.001 local terms energy: -29.393303 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -5.691 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: 6, replica: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -34.466454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.466454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.466454 (E_RNA) where: Base-Base interactions energy: -11.158 where: short stacking energy: -11.158 Base-Backbone interact. energy: -0.064 local terms energy: -23.244933 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -1.270 tors. eta vs tors. theta energy: -1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -32.807249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.807249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.807249 (E_RNA) where: Base-Base interactions energy: -9.789 where: short stacking energy: -9.789 Base-Backbone interact. energy: -0.002 local terms energy: -23.016359 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -2.562 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -38.984697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.984697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.984697 (E_RNA) where: Base-Base interactions energy: -9.934 where: short stacking energy: -9.934 Base-Backbone interact. energy: -0.000 local terms energy: -29.050774 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -26.596430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.596430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.596430 (E_RNA) where: Base-Base interactions energy: -5.783 where: short stacking energy: -5.783 Base-Backbone interact. energy: -0.153 local terms energy: -20.660343 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: 1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -27.207531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.207531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.207531 (E_RNA) where: Base-Base interactions energy: -2.352 where: short stacking energy: -0.128 Base-Backbone interact. energy: -0.093 local terms energy: -24.763259 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -3.727 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: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -43.662550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.662550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.662550 (E_RNA) where: Base-Base interactions energy: -14.204 where: short stacking energy: -14.204 Base-Backbone interact. energy: -0.000 local terms energy: -29.458893 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -5.126 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: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -34.063410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.063410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.063410 (E_RNA) where: Base-Base interactions energy: -7.340 where: short stacking energy: -7.340 Base-Backbone interact. energy: -0.008 local terms energy: -26.715909 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -3.656 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: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -39.120209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.120209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.120209 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.095 local terms energy: -27.632986 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -4.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -37.034120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.034120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.034120 (E_RNA) where: Base-Base interactions energy: -14.211 where: short stacking energy: -14.211 Base-Backbone interact. energy: -0.010 local terms energy: -22.813490 where: bonds (distance) C4'-P energy: -3.749 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -34.873097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.873097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.873097 (E_RNA) where: Base-Base interactions energy: -12.683 where: short stacking energy: -11.165 Base-Backbone interact. energy: -0.000 local terms energy: -22.190243 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -36.763120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.763120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.763120 (E_RNA) where: Base-Base interactions energy: -11.148 where: short stacking energy: -11.148 Base-Backbone interact. energy: -0.000 local terms energy: -25.615074 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -3.189 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: 7, replica: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -30.406762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.406762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.406762 (E_RNA) where: Base-Base interactions energy: -8.350 where: short stacking energy: -8.350 Base-Backbone interact. energy: -0.003 local terms energy: -22.053010 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -3.693 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: 8, replica: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -29.633593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.633593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.633593 (E_RNA) where: Base-Base interactions energy: -12.463 where: short stacking energy: -12.463 Base-Backbone interact. energy: -0.121 local terms energy: -17.049605 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -7.694 flat angles P-C4'-P energy: 3.473 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: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -30.176191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.176191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.176191 (E_RNA) where: Base-Base interactions energy: -7.256 where: short stacking energy: -7.256 Base-Backbone interact. energy: 0.643 local terms energy: -23.562861 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -5.287 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -2.579 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: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -33.170044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.170044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.170044 (E_RNA) where: Base-Base interactions energy: -8.771 where: short stacking energy: -8.771 Base-Backbone interact. energy: -0.021 local terms energy: -24.378188 where: bonds (distance) C4'-P energy: -4.005 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -5.578 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: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -37.921380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.921380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.921380 (E_RNA) where: Base-Base interactions energy: -10.817 where: short stacking energy: -10.817 Base-Backbone interact. energy: -0.001 local terms energy: -27.103100 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -39.185965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.185965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.185965 (E_RNA) where: Base-Base interactions energy: -12.236 where: short stacking energy: -12.236 Base-Backbone interact. energy: -0.000 local terms energy: -26.949569 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -3.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -40.040032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.040032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.040032 (E_RNA) where: Base-Base interactions energy: -11.127 where: short stacking energy: -11.127 Base-Backbone interact. energy: -0.002 local terms energy: -28.910746 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -5.128 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: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -41.521983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.521983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.521983 (E_RNA) where: Base-Base interactions energy: -14.614 where: short stacking energy: -14.614 Base-Backbone interact. energy: 0.572 local terms energy: -27.479983 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -5.182 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: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -29.621620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.621620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.621620 (E_RNA) where: Base-Base interactions energy: -6.459 where: short stacking energy: -6.459 Base-Backbone interact. energy: -0.210 local terms energy: -22.952942 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -1.970 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -32.807468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.807468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.807468 (E_RNA) where: Base-Base interactions energy: -9.473 where: short stacking energy: -9.473 Base-Backbone interact. energy: -0.097 local terms energy: -23.238385 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -31.949657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.949657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.949657 (E_RNA) where: Base-Base interactions energy: -10.352 where: short stacking energy: -10.352 Base-Backbone interact. energy: -0.014 local terms energy: -21.583713 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -34.079876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.079876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.079876 (E_RNA) where: Base-Base interactions energy: -10.945 where: short stacking energy: -10.705 Base-Backbone interact. energy: -1.134 local terms energy: -22.001213 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -4.729 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: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -28.743108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.743108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.743108 (E_RNA) where: Base-Base interactions energy: -8.117 where: short stacking energy: -8.117 Base-Backbone interact. energy: -0.000 local terms energy: -20.626441 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.217 flat angles P-C4'-P energy: -1.806 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: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -28.167873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.167873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.167873 (E_RNA) where: Base-Base interactions energy: -6.518 where: short stacking energy: -6.518 Base-Backbone interact. energy: -0.029 local terms energy: -21.621048 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -1.023 tors. eta vs tors. theta energy: -1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -39.578240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.578240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.578240 (E_RNA) where: Base-Base interactions energy: -9.219 where: short stacking energy: -9.219 Base-Backbone interact. energy: -0.565 local terms energy: -29.793762 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -39.344638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.344638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.344638 (E_RNA) where: Base-Base interactions energy: -12.448 where: short stacking energy: -10.771 Base-Backbone interact. energy: -0.005 local terms energy: -26.892419 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -5.255 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: 3, replica: 10 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -36.103937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.103937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.103937 (E_RNA) where: Base-Base interactions energy: -13.540 where: short stacking energy: -13.540 Base-Backbone interact. energy: -0.000 local terms energy: -22.563730 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -3.762 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: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -34.305695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.305695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.305695 (E_RNA) where: Base-Base interactions energy: -12.929 where: short stacking energy: -10.235 Base-Backbone interact. energy: -0.066 local terms energy: -21.310451 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -5.176 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: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -34.283976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.283976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.283976 (E_RNA) where: Base-Base interactions energy: -7.278 where: short stacking energy: -7.278 Base-Backbone interact. energy: -1.183 local terms energy: -25.823496 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -30.212715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.212715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.212715 (E_RNA) where: Base-Base interactions energy: -10.586 where: short stacking energy: -9.256 Base-Backbone interact. energy: -0.140 local terms energy: -19.486587 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -0.643 tors. eta vs tors. theta energy: -0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -31.275606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.275606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.275606 (E_RNA) where: Base-Base interactions energy: -7.293 where: short stacking energy: -6.327 Base-Backbone interact. energy: -0.115 local terms energy: -23.866704 where: bonds (distance) C4'-P energy: -3.989 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -6.358 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: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -34.840752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.840752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.840752 (E_RNA) where: Base-Base interactions energy: -11.937 where: short stacking energy: -11.724 Base-Backbone interact. energy: -0.041 local terms energy: -22.862799 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -27.388338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.388338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.388338 (E_RNA) where: Base-Base interactions energy: -7.793 where: short stacking energy: -7.793 Base-Backbone interact. energy: -0.049 local terms energy: -19.546841 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -3.551 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -3.211 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: 6 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -27.881651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.881651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.881651 (E_RNA) where: Base-Base interactions energy: -2.727 where: short stacking energy: -2.727 Base-Backbone interact. energy: -0.095 local terms energy: -25.060059 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: 0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -42.292954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.292954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.292954 (E_RNA) where: Base-Base interactions energy: -16.339 where: short stacking energy: -16.339 Base-Backbone interact. energy: -0.002 local terms energy: -25.952800 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -33.800588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.800588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.800588 (E_RNA) where: Base-Base interactions energy: -8.193 where: short stacking energy: -8.193 Base-Backbone interact. energy: -0.061 local terms energy: -25.547097 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -5.389 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: 3, replica: 10 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -39.597639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.597639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.597639 (E_RNA) where: Base-Base interactions energy: -15.731 where: short stacking energy: -15.731 Base-Backbone interact. energy: -0.006 local terms energy: -23.860683 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -5.033 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -5.636 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: 4, replica: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -37.327489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.327489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.327489 (E_RNA) where: Base-Base interactions energy: -11.737 where: short stacking energy: -11.737 Base-Backbone interact. energy: -0.000 local terms energy: -25.590112 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -32.151101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.151101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.151101 (E_RNA) where: Base-Base interactions energy: -9.028 where: short stacking energy: -9.028 Base-Backbone interact. energy: -0.000 local terms energy: -23.122731 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -3.533 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -4.826 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: 2 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -33.724037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.724037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.724037 (E_RNA) where: Base-Base interactions energy: -6.811 where: short stacking energy: -6.811 Base-Backbone interact. energy: -0.039 local terms energy: -26.874159 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -4.004 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: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -35.241725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.241725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.241725 (E_RNA) where: Base-Base interactions energy: -10.735 where: short stacking energy: -10.735 Base-Backbone interact. energy: -0.106 local terms energy: -24.400906 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.885 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: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -29.341837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.341837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.341837 (E_RNA) where: Base-Base interactions energy: -3.980 where: short stacking energy: -3.980 Base-Backbone interact. energy: -0.010 local terms energy: -25.351243 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -5.411 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: 9, replica: 5 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -31.421071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.421071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.421071 (E_RNA) where: Base-Base interactions energy: -7.828 where: short stacking energy: -7.828 Base-Backbone interact. energy: -0.012 local terms energy: -23.581595 where: bonds (distance) C4'-P energy: -4.457 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -5.780 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: 10, replica: 6 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -28.142864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.142864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.142864 (E_RNA) where: Base-Base interactions energy: -4.156 where: short stacking energy: -4.156 Base-Backbone interact. energy: -0.077 local terms energy: -23.910008 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -5.401 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.705 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: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -41.493670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.493670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.493670 (E_RNA) where: Base-Base interactions energy: -13.225 where: short stacking energy: -13.225 Base-Backbone interact. energy: -0.067 local terms energy: -28.200966 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -39.082392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.082392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.082392 (E_RNA) where: Base-Base interactions energy: -12.311 where: short stacking energy: -12.311 Base-Backbone interact. energy: -0.002 local terms energy: -26.769133 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -4.835 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: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -42.862672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.862672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.862672 (E_RNA) where: Base-Base interactions energy: -14.449 where: short stacking energy: -14.449 Base-Backbone interact. energy: -0.000 local terms energy: -28.413572 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -37.082880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.082880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.082880 (E_RNA) where: Base-Base interactions energy: -10.408 where: short stacking energy: -10.408 Base-Backbone interact. energy: -0.011 local terms energy: -26.663920 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.439 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -33.106105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.106105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.106105 (E_RNA) where: Base-Base interactions energy: -7.377 where: short stacking energy: -7.377 Base-Backbone interact. energy: -0.100 local terms energy: -25.628954 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -4.401 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: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -31.153497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.153497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.153497 (E_RNA) where: Base-Base interactions energy: -7.959 where: short stacking energy: -7.959 Base-Backbone interact. energy: -0.024 local terms energy: -23.170054 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -4.662 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: 7, replica: 1 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -32.602501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.602501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.602501 (E_RNA) where: Base-Base interactions energy: -12.170 where: short stacking energy: -8.685 Base-Backbone interact. energy: 0.861 local terms energy: -21.293924 where: bonds (distance) C4'-P energy: -3.289 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -4.056 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: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -30.218109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.218109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.218109 (E_RNA) where: Base-Base interactions energy: -9.658 where: short stacking energy: -9.658 Base-Backbone interact. energy: -0.077 local terms energy: -20.482707 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -5.381 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: 9, replica: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -29.336110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.336110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.336110 (E_RNA) where: Base-Base interactions energy: -4.898 where: short stacking energy: -4.898 Base-Backbone interact. energy: -0.132 local terms energy: -24.305668 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -4.969 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: 10, replica: 5 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -27.890403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.890403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.890403 (E_RNA) where: Base-Base interactions energy: -2.176 where: short stacking energy: -2.176 Base-Backbone interact. energy: -0.097 local terms energy: -25.618151 where: bonds (distance) C4'-P energy: -6.216 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -5.061 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: 119 Temperature: 0.900000 Total energy: -38.432021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.432021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.432021 (E_RNA) where: Base-Base interactions energy: -9.740 where: short stacking energy: -9.740 Base-Backbone interact. energy: -0.071 local terms energy: -28.621576 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -35.246158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.246158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.246158 (E_RNA) where: Base-Base interactions energy: -8.277 where: short stacking energy: -8.277 Base-Backbone interact. energy: -0.004 local terms energy: -26.965059 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -4.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -35.746441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.746441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.746441 (E_RNA) where: Base-Base interactions energy: -10.487 where: short stacking energy: -10.487 Base-Backbone interact. energy: -0.076 local terms energy: -25.183367 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -2.766 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: 4, replica: 2 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -42.553635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.553635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.553635 (E_RNA) where: Base-Base interactions energy: -12.842 where: short stacking energy: -12.842 Base-Backbone interact. energy: -0.030 local terms energy: -29.681888 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -35.907576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.907576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.907576 (E_RNA) where: Base-Base interactions energy: -9.609 where: short stacking energy: -9.609 Base-Backbone interact. energy: -0.003 local terms energy: -26.296185 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -32.944998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.944998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.944998 (E_RNA) where: Base-Base interactions energy: -8.982 where: short stacking energy: -8.982 Base-Backbone interact. energy: -0.000 local terms energy: -23.963385 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -3.703 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -34.664808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.664808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.664808 (E_RNA) where: Base-Base interactions energy: -12.011 where: short stacking energy: -12.011 Base-Backbone interact. energy: -0.018 local terms energy: -22.635753 where: bonds (distance) C4'-P energy: -4.366 bonds (distance) P-C4' energy: -5.774 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -3.993 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: 8, replica: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -34.385040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.385040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.385040 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.033 local terms energy: -24.817207 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.922 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: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -29.932501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.932501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.932501 (E_RNA) where: Base-Base interactions energy: -7.099 where: short stacking energy: -7.099 Base-Backbone interact. energy: -0.003 local terms energy: -22.830902 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -32.054058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.054058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.054058 (E_RNA) where: Base-Base interactions energy: -8.203 where: short stacking energy: -8.203 Base-Backbone interact. energy: -0.026 local terms energy: -23.825102 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: 1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -37.769607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.769607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.769607 (E_RNA) where: Base-Base interactions energy: -14.596 where: short stacking energy: -14.596 Base-Backbone interact. energy: -0.001 local terms energy: -23.173008 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.090 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: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -33.974242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.974242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.974242 (E_RNA) where: Base-Base interactions energy: -6.238 where: short stacking energy: -6.238 Base-Backbone interact. energy: -0.973 local terms energy: -26.762772 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -33.479123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.479123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.479123 (E_RNA) where: Base-Base interactions energy: -8.110 where: short stacking energy: -8.110 Base-Backbone interact. energy: -0.524 local terms energy: -24.845339 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -5.207 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: 4, replica: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -35.284281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.284281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.284281 (E_RNA) where: Base-Base interactions energy: -11.952 where: short stacking energy: -11.952 Base-Backbone interact. energy: -0.106 local terms energy: -23.226217 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -3.210 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: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -33.490929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.490929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.490929 (E_RNA) where: Base-Base interactions energy: -11.548 where: short stacking energy: -11.548 Base-Backbone interact. energy: -0.052 local terms energy: -21.891270 where: bonds (distance) C4'-P energy: -2.966 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -33.112332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.112332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.112332 (E_RNA) where: Base-Base interactions energy: -9.606 where: short stacking energy: -7.446 Base-Backbone interact. energy: 0.223 local terms energy: -23.728929 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -3.018 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: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -31.654654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.654654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.654654 (E_RNA) where: Base-Base interactions energy: -9.909 where: short stacking energy: -9.909 Base-Backbone interact. energy: -0.002 local terms energy: -21.743606 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -2.332 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: 8, replica: 3 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -28.132834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.132834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.132834 (E_RNA) where: Base-Base interactions energy: -6.131 where: short stacking energy: -5.485 Base-Backbone interact. energy: -0.343 local terms energy: -21.659107 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -2.231 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -28.395707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.395707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.395707 (E_RNA) where: Base-Base interactions energy: -2.449 where: short stacking energy: -2.449 Base-Backbone interact. energy: -0.003 local terms energy: -25.943764 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -5.509 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: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -25.778699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.778699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.778699 (E_RNA) where: Base-Base interactions energy: -0.617 where: short stacking energy: -0.617 Base-Backbone interact. energy: -0.064 local terms energy: -25.097836 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -6.083 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: 121 Temperature: 0.900000 Total energy: -39.097997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.097997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.097997 (E_RNA) where: Base-Base interactions energy: -14.353 where: short stacking energy: -14.353 Base-Backbone interact. energy: -0.000 local terms energy: -24.744363 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -1.962 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: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -43.724052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.724052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.724052 (E_RNA) where: Base-Base interactions energy: -15.152 where: short stacking energy: -15.152 Base-Backbone interact. energy: -0.092 local terms energy: -28.479870 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -33.787395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.787395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.787395 (E_RNA) where: Base-Base interactions energy: -12.769 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.075 local terms energy: -20.943049 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.206 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: 4, replica: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -32.487825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.487825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.487825 (E_RNA) where: Base-Base interactions energy: -8.689 where: short stacking energy: -8.689 Base-Backbone interact. energy: -0.002 local terms energy: -23.797290 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -30.860008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.860008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.860008 (E_RNA) where: Base-Base interactions energy: -8.362 where: short stacking energy: -8.362 Base-Backbone interact. energy: -0.089 local terms energy: -22.408617 where: bonds (distance) C4'-P energy: -5.562 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -5.118 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: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -33.387876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.387876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.387876 (E_RNA) where: Base-Base interactions energy: -4.903 where: short stacking energy: -4.903 Base-Backbone interact. energy: -0.010 local terms energy: -28.475346 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -5.121 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: 7, replica: 10 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -30.485127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.485127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.485127 (E_RNA) where: Base-Base interactions energy: -7.571 where: short stacking energy: -7.571 Base-Backbone interact. energy: -0.071 local terms energy: -22.843964 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.350 flat angles P-C4'-P energy: -2.636 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: 8, replica: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -34.940496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.940496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.940496 (E_RNA) where: Base-Base interactions energy: -11.816 where: short stacking energy: -11.816 Base-Backbone interact. energy: -0.001 local terms energy: -23.123285 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -3.408 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: 3 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -31.941297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.941297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.941297 (E_RNA) where: Base-Base interactions energy: -10.402 where: short stacking energy: -10.402 Base-Backbone interact. energy: -0.001 local terms energy: -21.538608 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: 0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -27.399019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.399019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.399019 (E_RNA) where: Base-Base interactions energy: -4.387 where: short stacking energy: -5.093 Base-Backbone interact. energy: -0.066 local terms energy: -22.946356 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -39.202178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.202178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.202178 (E_RNA) where: Base-Base interactions energy: -8.601 where: short stacking energy: -8.601 Base-Backbone interact. energy: -0.009 local terms energy: -30.591531 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -5.637 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: 2, replica: 7 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -37.890646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.890646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.890646 (E_RNA) where: Base-Base interactions energy: -13.693 where: short stacking energy: -13.693 Base-Backbone interact. energy: -0.043 local terms energy: -24.154249 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.521 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: 3, replica: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -35.908470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.908470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.908470 (E_RNA) where: Base-Base interactions energy: -10.734 where: short stacking energy: -10.734 Base-Backbone interact. energy: -0.100 local terms energy: -25.074583 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -6.494 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -2.760 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: 8 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -36.492357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.492357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.492357 (E_RNA) where: Base-Base interactions energy: -7.707 where: short stacking energy: -7.707 Base-Backbone interact. energy: -0.000 local terms energy: -28.784717 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -3.375 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: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -30.909758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.909758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.909758 (E_RNA) where: Base-Base interactions energy: -10.166 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.106 local terms energy: -20.637155 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -1.596 flat angles P-C4'-P energy: -4.343 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: 6, replica: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -30.234732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.234732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.234732 (E_RNA) where: Base-Base interactions energy: -5.482 where: short stacking energy: -5.482 Base-Backbone interact. energy: -0.078 local terms energy: -24.675111 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -5.581 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: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -35.394281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.394281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.394281 (E_RNA) where: Base-Base interactions energy: -11.077 where: short stacking energy: -11.077 Base-Backbone interact. energy: -0.008 local terms energy: -24.309508 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -4.562 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -5.210 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: 8, replica: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -31.817408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.817408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.817408 (E_RNA) where: Base-Base interactions energy: -5.192 where: short stacking energy: -5.192 Base-Backbone interact. energy: -0.000 local terms energy: -26.625045 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -30.910372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.910372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.910372 (E_RNA) where: Base-Base interactions energy: -6.703 where: short stacking energy: -6.703 Base-Backbone interact. energy: -0.080 local terms energy: -24.127831 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -27.009973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.009973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.009973 (E_RNA) where: Base-Base interactions energy: -6.122 where: short stacking energy: -6.122 Base-Backbone interact. energy: -0.003 local terms energy: -20.885231 where: bonds (distance) C4'-P energy: -2.263 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -43.906294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.906294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.906294 (E_RNA) where: Base-Base interactions energy: -14.312 where: short stacking energy: -14.312 Base-Backbone interact. energy: -1.054 local terms energy: -28.540995 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -6.070 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: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -35.416424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.416424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.416424 (E_RNA) where: Base-Base interactions energy: -9.360 where: short stacking energy: -9.760 Base-Backbone interact. energy: -0.018 local terms energy: -26.038388 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -2.183 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: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -32.586829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.586829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.586829 (E_RNA) where: Base-Base interactions energy: -4.425 where: short stacking energy: -3.897 Base-Backbone interact. energy: -0.004 local terms energy: -28.157212 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -4.188 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: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -32.271118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.271118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.271118 (E_RNA) where: Base-Base interactions energy: -6.946 where: short stacking energy: -6.946 Base-Backbone interact. energy: -0.002 local terms energy: -25.323120 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -31.724271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.724271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.724271 (E_RNA) where: Base-Base interactions energy: -10.310 where: short stacking energy: -10.310 Base-Backbone interact. energy: -0.002 local terms energy: -21.411795 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -2.670 flat angles P-C4'-P energy: -2.769 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: 6, replica: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -32.398212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.398212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.398212 (E_RNA) where: Base-Base interactions energy: -10.545 where: short stacking energy: -10.545 Base-Backbone interact. energy: -0.000 local terms energy: -21.853222 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -1.543 flat angles P-C4'-P energy: -4.277 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: 123 Temperature: 1.200000 Total energy: -28.969011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.969011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.969011 (E_RNA) where: Base-Base interactions energy: -6.709 where: short stacking energy: -6.709 Base-Backbone interact. energy: -0.092 local terms energy: -22.167637 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -3.662 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: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -32.255025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.255025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.255025 (E_RNA) where: Base-Base interactions energy: -9.586 where: short stacking energy: -9.586 Base-Backbone interact. energy: -0.017 local terms energy: -22.652246 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -5.135 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: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -26.638077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.638077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.638077 (E_RNA) where: Base-Base interactions energy: -7.135 where: short stacking energy: -7.135 Base-Backbone interact. energy: -0.001 local terms energy: -19.502379 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -3.069 flat angles P-C4'-P energy: -1.269 tors. eta vs tors. theta energy: -4.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -26.132628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.132628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.132628 (E_RNA) where: Base-Base interactions energy: -3.982 where: short stacking energy: -3.982 Base-Backbone interact. energy: 0.818 local terms energy: -22.968514 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -4.692 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: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -42.740126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.740126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.740126 (E_RNA) where: Base-Base interactions energy: -10.401 where: short stacking energy: -10.401 Base-Backbone interact. energy: -0.516 local terms energy: -31.823235 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -38.796132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.796132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.796132 (E_RNA) where: Base-Base interactions energy: -10.494 where: short stacking energy: -10.027 Base-Backbone interact. energy: -0.056 local terms energy: -28.245488 where: bonds (distance) C4'-P energy: -4.722 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -5.792 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: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -34.725810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.725810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.725810 (E_RNA) where: Base-Base interactions energy: -8.674 where: short stacking energy: -8.612 Base-Backbone interact. energy: -0.059 local terms energy: -25.992747 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -3.478 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: 4, replica: 7 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -35.332754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.332754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.332754 (E_RNA) where: Base-Base interactions energy: -12.445 where: short stacking energy: -12.445 Base-Backbone interact. energy: 0.403 local terms energy: -23.290550 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -5.880 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: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -37.851210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.851210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.851210 (E_RNA) where: Base-Base interactions energy: -14.598 where: short stacking energy: -14.598 Base-Backbone interact. energy: -0.075 local terms energy: -23.178719 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -35.511962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.511962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.511962 (E_RNA) where: Base-Base interactions energy: -7.967 where: short stacking energy: -7.967 Base-Backbone interact. energy: -0.000 local terms energy: -27.545222 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -5.575 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: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -39.411267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.411267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.411267 (E_RNA) where: Base-Base interactions energy: -10.561 where: short stacking energy: -10.561 Base-Backbone interact. energy: -0.009 local terms energy: -28.841706 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -6.214 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: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -37.453525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.453525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.453525 (E_RNA) where: Base-Base interactions energy: -13.008 where: short stacking energy: -13.008 Base-Backbone interact. energy: -0.000 local terms energy: -24.444688 where: bonds (distance) C4'-P energy: -5.147 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -30.081808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.081808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.081808 (E_RNA) where: Base-Base interactions energy: -5.118 where: short stacking energy: -4.998 Base-Backbone interact. energy: -0.001 local terms energy: -24.963437 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -1.772 flat angles P-C4'-P energy: -5.178 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: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -29.030403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.030403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.030403 (E_RNA) where: Base-Base interactions energy: -7.290 where: short stacking energy: -7.290 Base-Backbone interact. energy: -0.145 local terms energy: -21.595416 where: bonds (distance) C4'-P energy: -3.525 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -2.527 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: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -40.709180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.709180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.709180 (E_RNA) where: Base-Base interactions energy: -11.929 where: short stacking energy: -11.929 Base-Backbone interact. energy: -0.000 local terms energy: -28.780469 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -36.019324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.019324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.019324 (E_RNA) where: Base-Base interactions energy: -8.359 where: short stacking energy: -8.359 Base-Backbone interact. energy: -0.000 local terms energy: -27.660229 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -3.821 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: 3, replica: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -39.891575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.891575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.891575 (E_RNA) where: Base-Base interactions energy: -14.469 where: short stacking energy: -12.393 Base-Backbone interact. energy: -0.000 local terms energy: -25.422692 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -3.751 flat angles P-C4'-P energy: -4.336 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: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -40.499137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.499137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.499137 (E_RNA) where: Base-Base interactions energy: -14.576 where: short stacking energy: -14.576 Base-Backbone interact. energy: -0.001 local terms energy: -25.922940 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.550 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -4.296 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: 5, replica: 7 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -33.530410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.530410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.530410 (E_RNA) where: Base-Base interactions energy: -10.165 where: short stacking energy: -10.165 Base-Backbone interact. energy: -0.000 local terms energy: -23.365476 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -33.553701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.553701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.553701 (E_RNA) where: Base-Base interactions energy: -9.642 where: short stacking energy: -9.642 Base-Backbone interact. energy: -0.239 local terms energy: -23.672643 where: bonds (distance) C4'-P energy: -6.373 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -4.629 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: 7, replica: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -31.847750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.847750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.847750 (E_RNA) where: Base-Base interactions energy: -8.283 where: short stacking energy: -8.283 Base-Backbone interact. energy: -0.002 local terms energy: -23.563163 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -5.029 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: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -27.476306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.476306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.476306 (E_RNA) where: Base-Base interactions energy: -5.131 where: short stacking energy: -5.131 Base-Backbone interact. energy: 0.143 local terms energy: -22.488476 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -1.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -31.087572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.087572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.087572 (E_RNA) where: Base-Base interactions energy: -8.233 where: short stacking energy: -8.233 Base-Backbone interact. energy: -0.026 local terms energy: -22.828464 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -27.675029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.675029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.675029 (E_RNA) where: Base-Base interactions energy: -6.308 where: short stacking energy: -6.308 Base-Backbone interact. energy: -0.094 local terms energy: -21.272390 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.365 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: 1, replica: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -43.334973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.334973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.334973 (E_RNA) where: Base-Base interactions energy: -15.742 where: short stacking energy: -15.742 Base-Backbone interact. energy: -1.054 local terms energy: -26.539442 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -3.533 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: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -43.139514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.139514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.139514 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.005 local terms energy: -31.249566 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -7.777 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: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -35.941412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.941412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.941412 (E_RNA) where: Base-Base interactions energy: -8.819 where: short stacking energy: -8.819 Base-Backbone interact. energy: -0.043 local terms energy: -27.079479 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -5.604 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: 4, replica: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -39.317677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.317677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.317677 (E_RNA) where: Base-Base interactions energy: -10.919 where: short stacking energy: -9.864 Base-Backbone interact. energy: -0.000 local terms energy: -28.397938 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -4.671 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: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -31.140082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.140082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.140082 (E_RNA) where: Base-Base interactions energy: -7.972 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.148 local terms energy: -23.020630 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -4.247 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: 6, replica: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -34.040265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.040265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.040265 (E_RNA) where: Base-Base interactions energy: -7.864 where: short stacking energy: -7.864 Base-Backbone interact. energy: -0.139 local terms energy: -26.037601 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -26.769961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.769961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.769961 (E_RNA) where: Base-Base interactions energy: -5.575 where: short stacking energy: -4.099 Base-Backbone interact. energy: -0.045 local terms energy: -21.149698 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -4.411 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: 8, replica: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -29.203557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.203557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.203557 (E_RNA) where: Base-Base interactions energy: -5.984 where: short stacking energy: -5.984 Base-Backbone interact. energy: -0.094 local terms energy: -23.125312 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -4.170 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: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -31.287536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.287536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.287536 (E_RNA) where: Base-Base interactions energy: -7.744 where: short stacking energy: -7.595 Base-Backbone interact. energy: -0.094 local terms energy: -23.449126 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -5.380 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: 10, replica: 6 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -29.703611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.703611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.703611 (E_RNA) where: Base-Base interactions energy: -6.119 where: short stacking energy: -6.119 Base-Backbone interact. energy: -0.000 local terms energy: -23.583907 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -37.902073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.902073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.902073 (E_RNA) where: Base-Base interactions energy: -13.262 where: short stacking energy: -13.262 Base-Backbone interact. energy: -0.075 local terms energy: -24.565079 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -4.100 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -38.980621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.980621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.980621 (E_RNA) where: Base-Base interactions energy: -11.168 where: short stacking energy: -11.168 Base-Backbone interact. energy: -0.000 local terms energy: -27.812438 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -3.773 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: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -33.271914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.271914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.271914 (E_RNA) where: Base-Base interactions energy: -10.710 where: short stacking energy: -10.710 Base-Backbone interact. energy: -0.048 local terms energy: -22.514295 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -33.945274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.945274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.945274 (E_RNA) where: Base-Base interactions energy: -9.972 where: short stacking energy: -8.223 Base-Backbone interact. energy: -0.075 local terms energy: -23.898916 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: 0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -38.412853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.412853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.412853 (E_RNA) where: Base-Base interactions energy: -13.737 where: short stacking energy: -13.737 Base-Backbone interact. energy: -0.001 local terms energy: -24.674779 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -4.285 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: 6, replica: 10 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -31.463195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.463195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.463195 (E_RNA) where: Base-Base interactions energy: -6.780 where: short stacking energy: -6.980 Base-Backbone interact. energy: -0.170 local terms energy: -24.513473 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -5.330 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: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -34.220308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.220308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.220308 (E_RNA) where: Base-Base interactions energy: -8.216 where: short stacking energy: -8.216 Base-Backbone interact. energy: -0.037 local terms energy: -25.967878 where: bonds (distance) C4'-P energy: -4.759 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -4.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -32.665385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.665385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.665385 (E_RNA) where: Base-Base interactions energy: -7.984 where: short stacking energy: -7.984 Base-Backbone interact. energy: -0.004 local terms energy: -24.676656 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -4.055 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: 9, replica: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -28.475226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.475226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.475226 (E_RNA) where: Base-Base interactions energy: -5.585 where: short stacking energy: -5.585 Base-Backbone interact. energy: -1.012 local terms energy: -21.877304 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -5.653 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: 10, replica: 6 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -27.347209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.347209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.347209 (E_RNA) where: Base-Base interactions energy: -1.188 where: short stacking energy: -1.188 Base-Backbone interact. energy: -0.001 local terms energy: -26.158286 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -4.124 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: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -37.202485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.202485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.202485 (E_RNA) where: Base-Base interactions energy: -11.898 where: short stacking energy: -11.898 Base-Backbone interact. energy: -0.000 local terms energy: -25.304845 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -3.514 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: 2, replica: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -38.368464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.368464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.368464 (E_RNA) where: Base-Base interactions energy: -13.251 where: short stacking energy: -13.251 Base-Backbone interact. energy: -0.000 local terms energy: -25.116672 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -29.924149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.924149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.924149 (E_RNA) where: Base-Base interactions energy: -2.362 where: short stacking energy: -2.362 Base-Backbone interact. energy: 0.139 local terms energy: -27.701942 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -4.916 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: 128 Temperature: 1.050000 Total energy: -37.792327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.792327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.792327 (E_RNA) where: Base-Base interactions energy: -11.798 where: short stacking energy: -11.798 Base-Backbone interact. energy: -0.000 local terms energy: -25.994323 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -5.222 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: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -32.088185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.088185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.088185 (E_RNA) where: Base-Base interactions energy: -9.995 where: short stacking energy: -10.095 Base-Backbone interact. energy: -0.130 local terms energy: -21.962799 where: bonds (distance) C4'-P energy: -3.591 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -2.472 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: 6, replica: 1 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -36.457533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.457533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.457533 (E_RNA) where: Base-Base interactions energy: -10.021 where: short stacking energy: -10.021 Base-Backbone interact. energy: -0.000 local terms energy: -26.436459 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: -5.854 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: 7, replica: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -33.724879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.724879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.724879 (E_RNA) where: Base-Base interactions energy: -11.547 where: short stacking energy: -11.547 Base-Backbone interact. energy: -0.000 local terms energy: -22.178262 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -1.208 tors. eta vs tors. theta energy: -0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -27.528318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.528318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.528318 (E_RNA) where: Base-Base interactions energy: -7.563 where: short stacking energy: -7.563 Base-Backbone interact. energy: -0.486 local terms energy: -19.479733 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: 2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -31.317357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.317357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.317357 (E_RNA) where: Base-Base interactions energy: -7.161 where: short stacking energy: -7.161 Base-Backbone interact. energy: -0.378 local terms energy: -23.778464 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -3.775 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: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -30.283453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.283453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.283453 (E_RNA) where: Base-Base interactions energy: -8.321 where: short stacking energy: -7.790 Base-Backbone interact. energy: -0.013 local terms energy: -21.949560 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.664 tors. eta vs tors. theta energy: -2.001 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: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -42.459350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.459350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.459350 (E_RNA) where: Base-Base interactions energy: -14.301 where: short stacking energy: -14.301 Base-Backbone interact. energy: -0.000 local terms energy: -28.158185 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.823 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -7.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -37.362261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.362261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.362261 (E_RNA) where: Base-Base interactions energy: -10.336 where: short stacking energy: -10.336 Base-Backbone interact. energy: -0.035 local terms energy: -26.991031 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -5.086 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: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -36.528615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.528615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.528615 (E_RNA) where: Base-Base interactions energy: -11.408 where: short stacking energy: -11.408 Base-Backbone interact. energy: -0.004 local terms energy: -25.116421 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -39.140536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.140536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.140536 (E_RNA) where: Base-Base interactions energy: -9.866 where: short stacking energy: -9.866 Base-Backbone interact. energy: 0.741 local terms energy: -30.015972 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.556 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -38.467831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.467831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.467831 (E_RNA) where: Base-Base interactions energy: -10.693 where: short stacking energy: -10.693 Base-Backbone interact. energy: -0.048 local terms energy: -27.727196 where: bonds (distance) C4'-P energy: -6.353 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -5.823 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: 6, replica: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -32.486263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.486263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.486263 (E_RNA) where: Base-Base interactions energy: -8.108 where: short stacking energy: -8.108 Base-Backbone interact. energy: -0.270 local terms energy: -24.108759 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.585 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -31.344214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.344214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.344214 (E_RNA) where: Base-Base interactions energy: -8.137 where: short stacking energy: -8.137 Base-Backbone interact. energy: -0.094 local terms energy: -23.113269 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -5.335 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: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -30.759373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.759373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.759373 (E_RNA) where: Base-Base interactions energy: -6.358 where: short stacking energy: -6.358 Base-Backbone interact. energy: -0.004 local terms energy: -24.397384 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -5.434 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: 9, replica: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -30.264492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.264492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.264492 (E_RNA) where: Base-Base interactions energy: -4.394 where: short stacking energy: -4.394 Base-Backbone interact. energy: -0.001 local terms energy: -25.869551 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -4.753 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: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -25.402737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.402737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.402737 (E_RNA) where: Base-Base interactions energy: -4.931 where: short stacking energy: -4.931 Base-Backbone interact. energy: -0.120 local terms energy: -20.352713 where: bonds (distance) C4'-P energy: -3.749 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -4.767 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: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -36.334565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.334565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.334565 (E_RNA) where: Base-Base interactions energy: -11.780 where: short stacking energy: -11.780 Base-Backbone interact. energy: -0.020 local terms energy: -24.534521 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.151 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: 2, replica: 2 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -44.396672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.396672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.396672 (E_RNA) where: Base-Base interactions energy: -14.214 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.006 local terms energy: -30.176301 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -34.625487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.625487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.625487 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.001 local terms energy: -23.790588 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -3.720 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: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -41.264173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.264173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.264173 (E_RNA) where: Base-Base interactions energy: -10.711 where: short stacking energy: -10.711 Base-Backbone interact. energy: -0.050 local terms energy: -30.503193 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -5.079 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: 5, replica: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -36.669216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.669216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.669216 (E_RNA) where: Base-Base interactions energy: -9.368 where: short stacking energy: -9.368 Base-Backbone interact. energy: -0.003 local terms energy: -27.298867 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -3.372 flat angles P-C4'-P energy: -5.567 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: 6, replica: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -31.961216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.961216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.961216 (E_RNA) where: Base-Base interactions energy: -6.965 where: short stacking energy: -6.965 Base-Backbone interact. energy: -0.423 local terms energy: -24.573995 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.213 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -4.779 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: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -32.017318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.017318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.017318 (E_RNA) where: Base-Base interactions energy: -11.409 where: short stacking energy: -11.409 Base-Backbone interact. energy: 0.173 local terms energy: -20.781302 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -1.387 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -29.914033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.914033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.914033 (E_RNA) where: Base-Base interactions energy: -7.269 where: short stacking energy: -7.269 Base-Backbone interact. energy: -0.126 local terms energy: -22.519008 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -3.541 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: 8 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -26.841592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.841592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.841592 (E_RNA) where: Base-Base interactions energy: -8.906 where: short stacking energy: -8.906 Base-Backbone interact. energy: -0.135 local terms energy: -17.800569 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -1.999 tors. eta vs tors. theta energy: 2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -27.457808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.457808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.457808 (E_RNA) where: Base-Base interactions energy: -8.303 where: short stacking energy: -8.303 Base-Backbone interact. energy: -0.126 local terms energy: -19.029061 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -3.007 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -3.058 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: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -45.412887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.412887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.412887 (E_RNA) where: Base-Base interactions energy: -13.479 where: short stacking energy: -13.479 Base-Backbone interact. energy: -0.000 local terms energy: -31.934277 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -6.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -34.853274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.853274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.853274 (E_RNA) where: Base-Base interactions energy: -9.370 where: short stacking energy: -9.370 Base-Backbone interact. energy: -0.072 local terms energy: -25.411062 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -4.435 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: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -32.597678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.597678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.597678 (E_RNA) where: Base-Base interactions energy: -8.895 where: short stacking energy: -8.895 Base-Backbone interact. energy: -0.020 local terms energy: -23.683157 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -3.097 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: 3 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -33.481286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.481286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.481286 (E_RNA) where: Base-Base interactions energy: -8.176 where: short stacking energy: -8.228 Base-Backbone interact. energy: -0.179 local terms energy: -25.125790 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -5.187 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: 5, replica: 5 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -36.736888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.736888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.736888 (E_RNA) where: Base-Base interactions energy: -12.180 where: short stacking energy: -11.375 Base-Backbone interact. energy: -0.068 local terms energy: -24.489006 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -5.715 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: 6, replica: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -32.972324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.972324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.972324 (E_RNA) where: Base-Base interactions energy: -10.889 where: short stacking energy: -9.863 Base-Backbone interact. energy: -0.099 local terms energy: -21.983924 where: bonds (distance) C4'-P energy: -4.672 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -2.245 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: 7, replica: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -29.129443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.129443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.129443 (E_RNA) where: Base-Base interactions energy: -7.712 where: short stacking energy: -7.712 Base-Backbone interact. energy: -0.001 local terms energy: -21.416377 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -4.483 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -3.723 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: 8, replica: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -29.885346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.885346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.885346 (E_RNA) where: Base-Base interactions energy: -11.880 where: short stacking energy: -11.880 Base-Backbone interact. energy: -0.368 local terms energy: -17.637484 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -1.823 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: 131 Temperature: 1.300000 Total energy: -34.370185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.370185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.370185 (E_RNA) where: Base-Base interactions energy: -7.052 where: short stacking energy: -7.052 Base-Backbone interact. energy: -0.000 local terms energy: -27.318630 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -5.190 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: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -30.610597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.610597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.610597 (E_RNA) where: Base-Base interactions energy: -11.451 where: short stacking energy: -11.451 Base-Backbone interact. energy: -0.000 local terms energy: -19.159700 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -2.370 flat angles P-C4'-P energy: -0.906 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: 132 Temperature: 0.900000 Total energy: -42.601649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.601649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.601649 (E_RNA) where: Base-Base interactions energy: -14.520 where: short stacking energy: -14.520 Base-Backbone interact. energy: -0.000 local terms energy: -28.081871 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -5.226 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: 2, replica: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -36.510064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.510064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.510064 (E_RNA) where: Base-Base interactions energy: -10.303 where: short stacking energy: -10.303 Base-Backbone interact. energy: -0.074 local terms energy: -26.133285 where: bonds (distance) C4'-P energy: -3.968 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -34.975101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.975101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.975101 (E_RNA) where: Base-Base interactions energy: -9.589 where: short stacking energy: -9.589 Base-Backbone interact. energy: -0.003 local terms energy: -25.383243 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -5.667 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: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -34.541912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.541912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.541912 (E_RNA) where: Base-Base interactions energy: -7.353 where: short stacking energy: -7.353 Base-Backbone interact. energy: -0.160 local terms energy: -27.028858 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.054 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: 5, replica: 5 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -30.160942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.160942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.160942 (E_RNA) where: Base-Base interactions energy: -5.921 where: short stacking energy: -5.921 Base-Backbone interact. energy: -0.002 local terms energy: -24.237976 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -5.040 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: 6, replica: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -34.376339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.376339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.376339 (E_RNA) where: Base-Base interactions energy: -10.339 where: short stacking energy: -8.268 Base-Backbone interact. energy: 0.525 local terms energy: -24.562689 where: bonds (distance) C4'-P energy: -4.418 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -5.929 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: 7, replica: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -35.065671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.065671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.065671 (E_RNA) where: Base-Base interactions energy: -11.796 where: short stacking energy: -9.444 Base-Backbone interact. energy: -0.067 local terms energy: -23.202872 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -30.971860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.971860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.971860 (E_RNA) where: Base-Base interactions energy: -6.417 where: short stacking energy: -6.417 Base-Backbone interact. energy: 0.215 local terms energy: -24.769945 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -5.795 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: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -25.645132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.645132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.645132 (E_RNA) where: Base-Base interactions energy: -3.304 where: short stacking energy: -3.304 Base-Backbone interact. energy: -0.023 local terms energy: -22.317508 where: bonds (distance) C4'-P energy: -3.339 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -26.832229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.832229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.832229 (E_RNA) where: Base-Base interactions energy: -7.089 where: short stacking energy: -7.089 Base-Backbone interact. energy: -0.149 local terms energy: -19.594013 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -2.595 flat angles P-C4'-P energy: -5.523 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: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -37.947038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.947038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.947038 (E_RNA) where: Base-Base interactions energy: -11.764 where: short stacking energy: -11.764 Base-Backbone interact. energy: -0.162 local terms energy: -26.021542 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -4.364 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: 2, replica: 3 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -39.782636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.782636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.782636 (E_RNA) where: Base-Base interactions energy: -14.027 where: short stacking energy: -14.027 Base-Backbone interact. energy: -0.000 local terms energy: -25.754937 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.431 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -37.564314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.564314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.564314 (E_RNA) where: Base-Base interactions energy: -11.004 where: short stacking energy: -11.004 Base-Backbone interact. energy: -0.096 local terms energy: -26.464453 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -2.103 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: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -32.404289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.404289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.404289 (E_RNA) where: Base-Base interactions energy: -9.046 where: short stacking energy: -9.046 Base-Backbone interact. energy: -0.004 local terms energy: -23.354042 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -4.649 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: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -33.600602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.600602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.600602 (E_RNA) where: Base-Base interactions energy: -5.822 where: short stacking energy: -4.984 Base-Backbone interact. energy: -0.105 local terms energy: -27.673643 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -5.109 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: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -33.644135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.644135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.644135 (E_RNA) where: Base-Base interactions energy: -10.493 where: short stacking energy: -10.493 Base-Backbone interact. energy: -0.009 local terms energy: -23.142517 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -3.033 flat angles P-C4'-P energy: -4.209 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: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -29.685853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.685853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.685853 (E_RNA) where: Base-Base interactions energy: -12.413 where: short stacking energy: -12.413 Base-Backbone interact. energy: -0.000 local terms energy: -17.273007 where: bonds (distance) C4'-P energy: -2.822 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -0.923 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: 8, replica: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -29.579470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.579470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.579470 (E_RNA) where: Base-Base interactions energy: -6.278 where: short stacking energy: -6.278 Base-Backbone interact. energy: -0.217 local terms energy: -23.084506 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -0.378 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: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -29.222261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.222261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.222261 (E_RNA) where: Base-Base interactions energy: -2.870 where: short stacking energy: -1.790 Base-Backbone interact. energy: -1.081 local terms energy: -25.271142 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -0.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -28.308968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.308968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.308968 (E_RNA) where: Base-Base interactions energy: -4.193 where: short stacking energy: -4.193 Base-Backbone interact. energy: -0.014 local terms energy: -24.102516 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -33.776601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.776601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.776601 (E_RNA) where: Base-Base interactions energy: -6.186 where: short stacking energy: -6.186 Base-Backbone interact. energy: -0.040 local terms energy: -27.550779 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -5.513 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: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -36.097586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.097586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.097586 (E_RNA) where: Base-Base interactions energy: -9.272 where: short stacking energy: -9.272 Base-Backbone interact. energy: -0.031 local terms energy: -26.794626 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -1.710 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: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -37.060741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.060741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.060741 (E_RNA) where: Base-Base interactions energy: -10.312 where: short stacking energy: -9.123 Base-Backbone interact. energy: -0.233 local terms energy: -26.515320 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -4.099 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: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -36.933529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.933529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.933529 (E_RNA) where: Base-Base interactions energy: -9.988 where: short stacking energy: -9.988 Base-Backbone interact. energy: -0.001 local terms energy: -26.943903 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -2.230 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: 134 Temperature: 1.100000 Total energy: -30.446321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.446321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.446321 (E_RNA) where: Base-Base interactions energy: -8.167 where: short stacking energy: -8.167 Base-Backbone interact. energy: -0.021 local terms energy: -22.258180 where: bonds (distance) C4'-P energy: -4.718 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -33.266235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.266235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.266235 (E_RNA) where: Base-Base interactions energy: -10.062 where: short stacking energy: -10.062 Base-Backbone interact. energy: -0.004 local terms energy: -23.200368 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -2.181 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: 7, replica: 7 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -30.900652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.900652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.900652 (E_RNA) where: Base-Base interactions energy: -4.648 where: short stacking energy: -4.648 Base-Backbone interact. energy: -0.074 local terms energy: -26.178821 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.190 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: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -28.490752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.490752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.490752 (E_RNA) where: Base-Base interactions energy: -6.570 where: short stacking energy: -6.570 Base-Backbone interact. energy: -0.165 local terms energy: -21.755387 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -5.336 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: 9, replica: 6 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -30.298681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.298681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.298681 (E_RNA) where: Base-Base interactions energy: -6.348 where: short stacking energy: -6.348 Base-Backbone interact. energy: -0.016 local terms energy: -23.934538 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -4.314 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: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -28.039047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.039047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.039047 (E_RNA) where: Base-Base interactions energy: -6.920 where: short stacking energy: -6.920 Base-Backbone interact. energy: -0.033 local terms energy: -21.085611 where: bonds (distance) C4'-P energy: -5.263 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: 0.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -39.706817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.706817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.706817 (E_RNA) where: Base-Base interactions energy: -15.165 where: short stacking energy: -15.165 Base-Backbone interact. energy: -0.071 local terms energy: -24.470715 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -2.361 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: 2, replica: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -35.175630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.175630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.175630 (E_RNA) where: Base-Base interactions energy: -10.995 where: short stacking energy: -10.995 Base-Backbone interact. energy: -0.004 local terms energy: -24.176730 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -3.689 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: 3, replica: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -32.759286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.759286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.759286 (E_RNA) where: Base-Base interactions energy: -8.118 where: short stacking energy: -8.118 Base-Backbone interact. energy: -0.168 local terms energy: -24.472959 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: 1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -32.320122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.320122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.320122 (E_RNA) where: Base-Base interactions energy: -7.107 where: short stacking energy: -7.107 Base-Backbone interact. energy: -0.013 local terms energy: -25.200469 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: 0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -34.196094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.196094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.196094 (E_RNA) where: Base-Base interactions energy: -8.616 where: short stacking energy: -6.414 Base-Backbone interact. energy: -0.082 local terms energy: -25.498447 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -4.957 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: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -30.026917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.026917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.026917 (E_RNA) where: Base-Base interactions energy: -5.787 where: short stacking energy: -5.787 Base-Backbone interact. energy: -0.080 local terms energy: -24.160152 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -3.510 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: 7, replica: 2 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -28.983273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.983273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.983273 (E_RNA) where: Base-Base interactions energy: -0.933 where: short stacking energy: -0.933 Base-Backbone interact. energy: 0.525 local terms energy: -28.575518 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -3.943 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: 8, replica: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -29.022944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.022944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.022944 (E_RNA) where: Base-Base interactions energy: -4.413 where: short stacking energy: -4.413 Base-Backbone interact. energy: -0.070 local terms energy: -24.540097 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -4.607 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: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -28.242983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.242983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.242983 (E_RNA) where: Base-Base interactions energy: -7.702 where: short stacking energy: -7.113 Base-Backbone interact. energy: 0.641 local terms energy: -21.182830 where: bonds (distance) C4'-P energy: -4.822 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -1.959 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -29.872228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.872228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.872228 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.103 local terms energy: -22.314276 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -3.649 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: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -42.991504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.991504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.991504 (E_RNA) where: Base-Base interactions energy: -13.944 where: short stacking energy: -13.944 Base-Backbone interact. energy: -0.048 local terms energy: -28.999516 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -3.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -38.706699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.706699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.706699 (E_RNA) where: Base-Base interactions energy: -12.895 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.093 local terms energy: -25.719385 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -36.283485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.283485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.283485 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.000 local terms energy: -28.718256 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -32.280439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.280439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.280439 (E_RNA) where: Base-Base interactions energy: -11.591 where: short stacking energy: -11.591 Base-Backbone interact. energy: 3.594 local terms energy: -24.283870 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -31.665727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.665727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.665727 (E_RNA) where: Base-Base interactions energy: -5.631 where: short stacking energy: -5.631 Base-Backbone interact. energy: -0.094 local terms energy: -25.940466 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.326 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: 6, replica: 10 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -33.876481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.876481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.876481 (E_RNA) where: Base-Base interactions energy: -6.655 where: short stacking energy: -6.655 Base-Backbone interact. energy: -0.007 local terms energy: -27.213611 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -30.255912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.255912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.255912 (E_RNA) where: Base-Base interactions energy: -7.106 where: short stacking energy: -7.106 Base-Backbone interact. energy: -0.174 local terms energy: -22.975386 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -4.280 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: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -32.761576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.761576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.761576 (E_RNA) where: Base-Base interactions energy: -7.508 where: short stacking energy: -7.508 Base-Backbone interact. energy: -0.033 local terms energy: -25.220281 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.692 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: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -29.030057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.030057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.030057 (E_RNA) where: Base-Base interactions energy: -7.084 where: short stacking energy: -7.084 Base-Backbone interact. energy: -0.071 local terms energy: -21.874564 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.309 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: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -30.351505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.351505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.351505 (E_RNA) where: Base-Base interactions energy: -8.766 where: short stacking energy: -8.766 Base-Backbone interact. energy: -0.038 local terms energy: -21.547251 where: bonds (distance) C4'-P energy: -2.540 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -1.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -40.945345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.945345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.945345 (E_RNA) where: Base-Base interactions energy: -10.245 where: short stacking energy: -10.245 Base-Backbone interact. energy: -0.001 local terms energy: -30.700067 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -4.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -35.071078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.071078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.071078 (E_RNA) where: Base-Base interactions energy: -7.717 where: short stacking energy: -7.717 Base-Backbone interact. energy: -0.092 local terms energy: -27.261529 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -5.324 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: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -41.855936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.855936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.855936 (E_RNA) where: Base-Base interactions energy: -14.003 where: short stacking energy: -14.003 Base-Backbone interact. energy: -0.029 local terms energy: -27.823475 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -5.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -34.623015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.623015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.623015 (E_RNA) where: Base-Base interactions energy: -7.055 where: short stacking energy: -7.055 Base-Backbone interact. energy: -0.210 local terms energy: -27.358023 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -4.298 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: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -32.371178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.371178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.371178 (E_RNA) where: Base-Base interactions energy: -7.849 where: short stacking energy: -7.849 Base-Backbone interact. energy: -0.110 local terms energy: -24.411773 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: 0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -32.699221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.699221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.699221 (E_RNA) where: Base-Base interactions energy: -10.697 where: short stacking energy: -10.697 Base-Backbone interact. energy: -0.001 local terms energy: -22.002072 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -1.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -29.049840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.049840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.049840 (E_RNA) where: Base-Base interactions energy: -6.366 where: short stacking energy: -6.366 Base-Backbone interact. energy: -0.000 local terms energy: -22.683374 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: 1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -35.790127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.790127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.790127 (E_RNA) where: Base-Base interactions energy: -11.815 where: short stacking energy: -10.852 Base-Backbone interact. energy: -0.017 local terms energy: -23.958195 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -3.754 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: 9, replica: 2 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -27.746267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.746267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.746267 (E_RNA) where: Base-Base interactions energy: -4.289 where: short stacking energy: -4.289 Base-Backbone interact. energy: -0.086 local terms energy: -23.371696 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -27.619525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.619525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.619525 (E_RNA) where: Base-Base interactions energy: -4.295 where: short stacking energy: -4.295 Base-Backbone interact. energy: -0.034 local terms energy: -23.290923 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -3.594 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: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -38.542097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.542097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.542097 (E_RNA) where: Base-Base interactions energy: -10.270 where: short stacking energy: -9.220 Base-Backbone interact. energy: -0.533 local terms energy: -27.739516 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -4.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -37.928096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.928096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.928096 (E_RNA) where: Base-Base interactions energy: -11.482 where: short stacking energy: -11.482 Base-Backbone interact. energy: -0.002 local terms energy: -26.443912 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -35.357591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.357591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.357591 (E_RNA) where: Base-Base interactions energy: -9.378 where: short stacking energy: -7.761 Base-Backbone interact. energy: -0.083 local terms energy: -25.896388 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -31.644410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.644410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.644410 (E_RNA) where: Base-Base interactions energy: -6.235 where: short stacking energy: -6.235 Base-Backbone interact. energy: -0.003 local terms energy: -25.407129 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -5.796 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: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -32.977524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.977524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.977524 (E_RNA) where: Base-Base interactions energy: -7.208 where: short stacking energy: -7.208 Base-Backbone interact. energy: -0.000 local terms energy: -25.769761 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -35.861247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.861247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.861247 (E_RNA) where: Base-Base interactions energy: -9.993 where: short stacking energy: -9.993 Base-Backbone interact. energy: -0.038 local terms energy: -25.830433 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -3.829 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: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -32.175200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.175200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.175200 (E_RNA) where: Base-Base interactions energy: -9.229 where: short stacking energy: -9.229 Base-Backbone interact. energy: -0.000 local terms energy: -22.945315 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -29.501598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.501598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.501598 (E_RNA) where: Base-Base interactions energy: -6.566 where: short stacking energy: -6.566 Base-Backbone interact. energy: -0.000 local terms energy: -22.934851 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -4.721 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: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -27.631738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.631738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.631738 (E_RNA) where: Base-Base interactions energy: -6.259 where: short stacking energy: -6.259 Base-Backbone interact. energy: -0.096 local terms energy: -21.276059 where: bonds (distance) C4'-P energy: -4.644 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -3.106 flat angles P-C4'-P energy: -5.173 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: 10, replica: 2 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -26.396332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.396332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.396332 (E_RNA) where: Base-Base interactions energy: -2.779 where: short stacking energy: -2.779 Base-Backbone interact. energy: -0.000 local terms energy: -23.617694 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -4.095 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: 1, replica: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -40.189353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.189353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.189353 (E_RNA) where: Base-Base interactions energy: -10.953 where: short stacking energy: -10.953 Base-Backbone interact. energy: -0.055 local terms energy: -29.181130 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -5.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -37.829676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.829676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.829676 (E_RNA) where: Base-Base interactions energy: -11.726 where: short stacking energy: -11.726 Base-Backbone interact. energy: -0.019 local terms energy: -26.084516 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -2.259 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -31.050572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.050572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.050572 (E_RNA) where: Base-Base interactions energy: -7.409 where: short stacking energy: -7.409 Base-Backbone interact. energy: -0.006 local terms energy: -23.635918 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -32.762032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.762032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.762032 (E_RNA) where: Base-Base interactions energy: -7.485 where: short stacking energy: -7.485 Base-Backbone interact. energy: -0.021 local terms energy: -25.255354 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -5.949 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -33.925793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.925793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.925793 (E_RNA) where: Base-Base interactions energy: -8.275 where: short stacking energy: -8.275 Base-Backbone interact. energy: -0.069 local terms energy: -25.581176 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -2.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -37.192559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.192559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.192559 (E_RNA) where: Base-Base interactions energy: -11.036 where: short stacking energy: -11.036 Base-Backbone interact. energy: -0.001 local terms energy: -26.155572 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -0.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -36.250999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.250999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.250999 (E_RNA) where: Base-Base interactions energy: -10.365 where: short stacking energy: -10.365 Base-Backbone interact. energy: -0.096 local terms energy: -25.790184 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -29.212071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.212071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.212071 (E_RNA) where: Base-Base interactions energy: -8.892 where: short stacking energy: -8.892 Base-Backbone interact. energy: -0.157 local terms energy: -20.163365 where: bonds (distance) C4'-P energy: -3.000 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -0.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -29.478541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.478541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.478541 (E_RNA) where: Base-Base interactions energy: -6.148 where: short stacking energy: -5.498 Base-Backbone interact. energy: -0.097 local terms energy: -23.232929 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -4.198 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: 2 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -27.419826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.419826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.419826 (E_RNA) where: Base-Base interactions energy: -3.386 where: short stacking energy: -3.386 Base-Backbone interact. energy: -0.000 local terms energy: -24.033782 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.098 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: 1, replica: 9 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -42.560429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.560429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.560429 (E_RNA) where: Base-Base interactions energy: -14.441 where: short stacking energy: -14.411 Base-Backbone interact. energy: 0.635 local terms energy: -28.754290 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -4.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -36.598441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.598441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.598441 (E_RNA) where: Base-Base interactions energy: -10.851 where: short stacking energy: -10.851 Base-Backbone interact. energy: -0.018 local terms energy: -25.729314 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -4.658 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: 140 Temperature: 1.000000 Total energy: -35.993520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.993520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.993520 (E_RNA) where: Base-Base interactions energy: -12.167 where: short stacking energy: -12.167 Base-Backbone interact. energy: -0.001 local terms energy: -23.825334 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -3.246 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: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -39.766452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.766452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.766452 (E_RNA) where: Base-Base interactions energy: -11.801 where: short stacking energy: -11.801 Base-Backbone interact. energy: -0.027 local terms energy: -27.938120 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -32.071809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.071809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.071809 (E_RNA) where: Base-Base interactions energy: -3.888 where: short stacking energy: -1.255 Base-Backbone interact. energy: -0.119 local terms energy: -28.064383 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -4.751 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: 6, replica: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -32.691098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.691098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.691098 (E_RNA) where: Base-Base interactions energy: -10.328 where: short stacking energy: -10.088 Base-Backbone interact. energy: 0.846 local terms energy: -23.209923 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -4.174 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: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -31.318806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.318806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.318806 (E_RNA) where: Base-Base interactions energy: -10.872 where: short stacking energy: -6.728 Base-Backbone interact. energy: -0.086 local terms energy: -20.361279 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: 1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -31.264378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.264378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.264378 (E_RNA) where: Base-Base interactions energy: -10.403 where: short stacking energy: -10.403 Base-Backbone interact. energy: -0.090 local terms energy: -20.771015 where: bonds (distance) C4'-P energy: -4.271 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -3.684 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: 140 Temperature: 1.300000 Total energy: -31.278784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.278784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.278784 (E_RNA) where: Base-Base interactions energy: -6.941 where: short stacking energy: -6.941 Base-Backbone interact. energy: -0.000 local terms energy: -24.337433 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -2.174 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: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -27.717205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.717205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.717205 (E_RNA) where: Base-Base interactions energy: -7.868 where: short stacking energy: -7.868 Base-Backbone interact. energy: -0.091 local terms energy: -19.757942 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -3.905 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -41.072891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.072891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.072891 (E_RNA) where: Base-Base interactions energy: -15.389 where: short stacking energy: -15.389 Base-Backbone interact. energy: -0.000 local terms energy: -25.684210 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -3.607 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: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -46.814510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.814510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.814510 (E_RNA) where: Base-Base interactions energy: -14.440 where: short stacking energy: -14.440 Base-Backbone interact. energy: -0.000 local terms energy: -32.374900 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -5.103 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: 3, replica: 8 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -41.511859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.511859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.511859 (E_RNA) where: Base-Base interactions energy: -13.547 where: short stacking energy: -13.073 Base-Backbone interact. energy: -0.002 local terms energy: -27.963397 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -5.535 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: 7 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -32.901318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.901318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.901318 (E_RNA) where: Base-Base interactions energy: -5.461 where: short stacking energy: -5.461 Base-Backbone interact. energy: -0.008 local terms energy: -27.432647 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -5.710 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: 5, replica: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -39.456278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.456278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.456278 (E_RNA) where: Base-Base interactions energy: -14.669 where: short stacking energy: -14.669 Base-Backbone interact. energy: -0.059 local terms energy: -24.728335 where: bonds (distance) C4'-P energy: -4.134 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -4.004 tors. eta vs tors. theta energy: -3.533 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: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -34.743818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.743818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.743818 (E_RNA) where: Base-Base interactions energy: -8.397 where: short stacking energy: -8.397 Base-Backbone interact. energy: -0.001 local terms energy: -26.346495 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -3.764 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: 7, replica: 3 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -36.520403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.520403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.520403 (E_RNA) where: Base-Base interactions energy: -11.224 where: short stacking energy: -11.224 Base-Backbone interact. energy: -0.003 local terms energy: -25.293198 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -4.175 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: 8, replica: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -30.888860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.888860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.888860 (E_RNA) where: Base-Base interactions energy: -8.159 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.001 local terms energy: -22.729696 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: 0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -25.999220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.999220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.999220 (E_RNA) where: Base-Base interactions energy: -5.014 where: short stacking energy: -5.014 Base-Backbone interact. energy: -0.030 local terms energy: -20.954994 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -2.914 flat angles P-C4'-P energy: -4.838 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: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -28.429013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.429013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.429013 (E_RNA) where: Base-Base interactions energy: -4.022 where: short stacking energy: -4.022 Base-Backbone interact. energy: -0.002 local terms energy: -24.405390 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -41.950718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.950718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.950718 (E_RNA) where: Base-Base interactions energy: -13.409 where: short stacking energy: -13.409 Base-Backbone interact. energy: -0.098 local terms energy: -28.444005 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -37.891000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.891000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.891000 (E_RNA) where: Base-Base interactions energy: -11.905 where: short stacking energy: -9.830 Base-Backbone interact. energy: -0.000 local terms energy: -25.985690 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -1.928 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -38.305063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.305063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.305063 (E_RNA) where: Base-Base interactions energy: -12.170 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -26.134495 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -5.355 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: 4, replica: 8 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -38.412592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.412592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.412592 (E_RNA) where: Base-Base interactions energy: -12.365 where: short stacking energy: -12.365 Base-Backbone interact. energy: -0.000 local terms energy: -26.047611 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -5.362 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: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -32.603515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.603515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.603515 (E_RNA) where: Base-Base interactions energy: -11.637 where: short stacking energy: -11.637 Base-Backbone interact. energy: -0.106 local terms energy: -20.860372 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -1.218 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: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -31.482917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.482917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.482917 (E_RNA) where: Base-Base interactions energy: -9.441 where: short stacking energy: -9.441 Base-Backbone interact. energy: -0.000 local terms energy: -22.042040 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -3.410 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: 7, replica: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -30.874730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.874730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.874730 (E_RNA) where: Base-Base interactions energy: -6.854 where: short stacking energy: -6.854 Base-Backbone interact. energy: -0.086 local terms energy: -23.934985 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.622 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: 142 Temperature: 1.250000 Total energy: -32.562746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.562746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.562746 (E_RNA) where: Base-Base interactions energy: -7.625 where: short stacking energy: -7.625 Base-Backbone interact. energy: -0.166 local terms energy: -24.771536 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -5.532 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: 9, replica: 10 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -26.747360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.747360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.747360 (E_RNA) where: Base-Base interactions energy: -2.852 where: short stacking energy: -2.852 Base-Backbone interact. energy: -0.019 local terms energy: -23.875990 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: 2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -26.115843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.115843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.115843 (E_RNA) where: Base-Base interactions energy: -4.267 where: short stacking energy: -4.267 Base-Backbone interact. energy: -0.046 local terms energy: -21.803159 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -36.958821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.958821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.958821 (E_RNA) where: Base-Base interactions energy: -11.697 where: short stacking energy: -11.697 Base-Backbone interact. energy: -0.089 local terms energy: -25.172604 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -41.996166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.996166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.996166 (E_RNA) where: Base-Base interactions energy: -15.080 where: short stacking energy: -15.080 Base-Backbone interact. energy: -0.000 local terms energy: -26.915891 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -4.558 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: 3, replica: 9 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -35.719610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.719610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.719610 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.001 local terms energy: -26.185440 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -38.305136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.305136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.305136 (E_RNA) where: Base-Base interactions energy: -10.872 where: short stacking energy: -10.872 Base-Backbone interact. energy: -0.000 local terms energy: -27.433084 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -35.242469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.242469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.242469 (E_RNA) where: Base-Base interactions energy: -10.597 where: short stacking energy: -10.597 Base-Backbone interact. energy: -0.311 local terms energy: -24.335071 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.966 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: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -31.654077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.654077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.654077 (E_RNA) where: Base-Base interactions energy: -4.401 where: short stacking energy: -4.401 Base-Backbone interact. energy: -0.097 local terms energy: -27.156341 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -3.528 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: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -32.171984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.171984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.171984 (E_RNA) where: Base-Base interactions energy: -6.608 where: short stacking energy: -6.608 Base-Backbone interact. energy: -0.098 local terms energy: -25.465432 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -1.177 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: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -36.231584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.231584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.231584 (E_RNA) where: Base-Base interactions energy: -7.227 where: short stacking energy: -7.227 Base-Backbone interact. energy: -0.000 local terms energy: -29.004648 where: bonds (distance) C4'-P energy: -6.149 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -4.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -31.575333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.575333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.575333 (E_RNA) where: Base-Base interactions energy: -6.166 where: short stacking energy: -6.366 Base-Backbone interact. energy: -0.078 local terms energy: -25.331304 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -4.092 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: 10, replica: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -27.217892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.217892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.217892 (E_RNA) where: Base-Base interactions energy: -6.701 where: short stacking energy: -4.650 Base-Backbone interact. energy: -0.600 local terms energy: -19.916285 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -3.903 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: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -39.921744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.921744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.921744 (E_RNA) where: Base-Base interactions energy: -10.355 where: short stacking energy: -10.355 Base-Backbone interact. energy: -0.000 local terms energy: -29.566389 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -3.742 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: 2, replica: 7 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -36.293716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.293716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.293716 (E_RNA) where: Base-Base interactions energy: -8.932 where: short stacking energy: -8.932 Base-Backbone interact. energy: -0.003 local terms energy: -27.359068 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -4.987 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: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -38.516164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.516164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.516164 (E_RNA) where: Base-Base interactions energy: -11.960 where: short stacking energy: -11.960 Base-Backbone interact. energy: -0.000 local terms energy: -26.555793 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -2.366 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -32.625989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.625989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.625989 (E_RNA) where: Base-Base interactions energy: -6.319 where: short stacking energy: -6.319 Base-Backbone interact. energy: -0.022 local terms energy: -26.284892 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -5.393 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: 8 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -29.132736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.132736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.132736 (E_RNA) where: Base-Base interactions energy: -5.345 where: short stacking energy: -5.459 Base-Backbone interact. energy: -0.146 local terms energy: -23.641452 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -29.319847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.319847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.319847 (E_RNA) where: Base-Base interactions energy: -4.695 where: short stacking energy: -4.695 Base-Backbone interact. energy: -0.097 local terms energy: -24.528346 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -2.547 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: 7, replica: 10 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -37.104994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.104994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.104994 (E_RNA) where: Base-Base interactions energy: -9.709 where: short stacking energy: -7.614 Base-Backbone interact. energy: -0.000 local terms energy: -27.395927 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -6.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -29.167108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.167108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.167108 (E_RNA) where: Base-Base interactions energy: -8.082 where: short stacking energy: -8.082 Base-Backbone interact. energy: -0.136 local terms energy: -20.949327 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -4.361 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: 9, replica: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -30.794602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.794602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.794602 (E_RNA) where: Base-Base interactions energy: -7.194 where: short stacking energy: -7.194 Base-Backbone interact. energy: -0.048 local terms energy: -23.552953 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -27.207136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.207136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.207136 (E_RNA) where: Base-Base interactions energy: -5.872 where: short stacking energy: -4.509 Base-Backbone interact. energy: -0.108 local terms energy: -21.226576 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -4.820 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: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -39.668890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.668890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.668890 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.130 local terms energy: -28.181030 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -5.515 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: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -43.361590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.361590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.361590 (E_RNA) where: Base-Base interactions energy: -15.486 where: short stacking energy: -15.486 Base-Backbone interact. energy: -0.000 local terms energy: -27.875936 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -3.644 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: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -33.787132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.787132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.787132 (E_RNA) where: Base-Base interactions energy: -10.382 where: short stacking energy: -10.382 Base-Backbone interact. energy: -0.055 local terms energy: -23.350128 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -35.805765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.805765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.805765 (E_RNA) where: Base-Base interactions energy: -7.740 where: short stacking energy: -7.740 Base-Backbone interact. energy: -0.005 local terms energy: -28.061105 where: bonds (distance) C4'-P energy: -3.504 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -5.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -35.085416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.085416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.085416 (E_RNA) where: Base-Base interactions energy: -11.737 where: short stacking energy: -11.737 Base-Backbone interact. energy: -0.087 local terms energy: -23.261695 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -32.976927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.976927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.976927 (E_RNA) where: Base-Base interactions energy: -11.739 where: short stacking energy: -11.739 Base-Backbone interact. energy: -0.040 local terms energy: -21.197723 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -2.875 flat angles P-C4'-P energy: -3.648 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: 7, replica: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -31.115759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.115759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.115759 (E_RNA) where: Base-Base interactions energy: -7.724 where: short stacking energy: -7.724 Base-Backbone interact. energy: -0.164 local terms energy: -23.227875 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.761 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -5.970 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: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -31.739471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.739471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.739471 (E_RNA) where: Base-Base interactions energy: -8.249 where: short stacking energy: -8.249 Base-Backbone interact. energy: -0.082 local terms energy: -23.408883 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -1.543 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: 9, replica: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -29.590104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.590104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.590104 (E_RNA) where: Base-Base interactions energy: -7.670 where: short stacking energy: -7.670 Base-Backbone interact. energy: -0.002 local terms energy: -21.918346 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -2.366 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -29.479329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.479329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.479329 (E_RNA) where: Base-Base interactions energy: -7.079 where: short stacking energy: -7.079 Base-Backbone interact. energy: -0.060 local terms energy: -22.340001 where: bonds (distance) C4'-P energy: -1.252 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -4.555 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: 1, replica: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -35.370565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.370565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.370565 (E_RNA) where: Base-Base interactions energy: -11.163 where: short stacking energy: -11.163 Base-Backbone interact. energy: -0.001 local terms energy: -24.206372 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -38.911765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.911765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.911765 (E_RNA) where: Base-Base interactions energy: -11.721 where: short stacking energy: -11.721 Base-Backbone interact. energy: -0.099 local terms energy: -27.091254 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -4.994 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: 3, replica: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -35.061927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.061927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.061927 (E_RNA) where: Base-Base interactions energy: -7.405 where: short stacking energy: -7.405 Base-Backbone interact. energy: -0.009 local terms energy: -27.647383 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -4.634 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: 4, replica: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -31.928341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.928341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.928341 (E_RNA) where: Base-Base interactions energy: -9.820 where: short stacking energy: -9.820 Base-Backbone interact. energy: -0.132 local terms energy: -21.976213 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -1.443 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: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -37.413182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.413182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.413182 (E_RNA) where: Base-Base interactions energy: -11.052 where: short stacking energy: -10.340 Base-Backbone interact. energy: -0.011 local terms energy: -26.350451 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -1.974 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: 10 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -32.728304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.728304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.728304 (E_RNA) where: Base-Base interactions energy: -6.207 where: short stacking energy: -6.207 Base-Backbone interact. energy: -0.001 local terms energy: -26.519668 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -4.755 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: 7, replica: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -31.943646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.943646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.943646 (E_RNA) where: Base-Base interactions energy: -11.676 where: short stacking energy: -11.676 Base-Backbone interact. energy: -0.024 local terms energy: -20.243230 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -2.518 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -34.169842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.169842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.169842 (E_RNA) where: Base-Base interactions energy: -11.913 where: short stacking energy: -11.913 Base-Backbone interact. energy: -0.071 local terms energy: -22.185325 where: bonds (distance) C4'-P energy: -4.867 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -33.866431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.866431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.866431 (E_RNA) where: Base-Base interactions energy: -9.864 where: short stacking energy: -9.864 Base-Backbone interact. energy: -0.014 local terms energy: -23.987931 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -29.644466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.644466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.644466 (E_RNA) where: Base-Base interactions energy: -6.440 where: short stacking energy: -6.440 Base-Backbone interact. energy: -0.014 local terms energy: -23.191375 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -4.279 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: 1, replica: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -43.495202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.495202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.495202 (E_RNA) where: Base-Base interactions energy: -15.321 where: short stacking energy: -15.321 Base-Backbone interact. energy: -0.008 local terms energy: -28.165718 where: bonds (distance) C4'-P energy: -5.396 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -33.447059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.447059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.447059 (E_RNA) where: Base-Base interactions energy: -10.175 where: short stacking energy: -10.175 Base-Backbone interact. energy: 2.050 local terms energy: -25.321875 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -4.264 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: 147 Temperature: 1.000000 Total energy: -36.450762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.450762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.450762 (E_RNA) where: Base-Base interactions energy: -12.391 where: short stacking energy: -12.391 Base-Backbone interact. energy: -0.000 local terms energy: -24.060060 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -39.377797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.377797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.377797 (E_RNA) where: Base-Base interactions energy: -11.332 where: short stacking energy: -11.332 Base-Backbone interact. energy: -0.000 local terms energy: -28.045199 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -32.491652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.491652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.491652 (E_RNA) where: Base-Base interactions energy: -9.175 where: short stacking energy: -9.175 Base-Backbone interact. energy: -0.006 local terms energy: -23.310378 where: bonds (distance) C4'-P energy: -4.734 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -4.455 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: 6, replica: 1 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -33.376937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.376937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.376937 (E_RNA) where: Base-Base interactions energy: -8.525 where: short stacking energy: -8.525 Base-Backbone interact. energy: -0.095 local terms energy: -24.756997 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -5.167 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: 7, replica: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -32.439243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.439243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.439243 (E_RNA) where: Base-Base interactions energy: -9.475 where: short stacking energy: -9.475 Base-Backbone interact. energy: -0.052 local terms energy: -22.912673 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -3.130 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: 8, replica: 3 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -27.351366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.351366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.351366 (E_RNA) where: Base-Base interactions energy: -4.208 where: short stacking energy: -4.208 Base-Backbone interact. energy: -0.002 local terms energy: -23.141912 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -31.973433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.973433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.973433 (E_RNA) where: Base-Base interactions energy: -8.651 where: short stacking energy: -8.651 Base-Backbone interact. energy: -0.000 local terms energy: -23.322374 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -6.840 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -3.134 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: 10, replica: 6 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -29.294411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.294411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.294411 (E_RNA) where: Base-Base interactions energy: -7.195 where: short stacking energy: -7.195 Base-Backbone interact. energy: -0.037 local terms energy: -22.062599 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -5.006 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: 148 Temperature: 0.900000 Total energy: -44.312872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.312872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.312872 (E_RNA) where: Base-Base interactions energy: -16.760 where: short stacking energy: -16.760 Base-Backbone interact. energy: -0.009 local terms energy: -27.543817 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -37.579212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.579212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.579212 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.038 local terms energy: -26.212978 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -34.633042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.633042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.633042 (E_RNA) where: Base-Base interactions energy: -9.112 where: short stacking energy: -9.112 Base-Backbone interact. energy: -0.005 local terms energy: -25.516452 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.531 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: 4, replica: 9 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -32.131061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.131061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.131061 (E_RNA) where: Base-Base interactions energy: -7.847 where: short stacking energy: -7.847 Base-Backbone interact. energy: -0.018 local terms energy: -24.265827 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -33.700514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.700514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.700514 (E_RNA) where: Base-Base interactions energy: -7.360 where: short stacking energy: -7.360 Base-Backbone interact. energy: -0.083 local terms energy: -26.257501 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -32.955625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.955625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.955625 (E_RNA) where: Base-Base interactions energy: -8.574 where: short stacking energy: -8.574 Base-Backbone interact. energy: -0.001 local terms energy: -24.380557 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -3.731 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: 7, replica: 3 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -35.172188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.172188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.172188 (E_RNA) where: Base-Base interactions energy: -10.599 where: short stacking energy: -10.599 Base-Backbone interact. energy: -0.022 local terms energy: -24.550845 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -2.046 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: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -29.335174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.335174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.335174 (E_RNA) where: Base-Base interactions energy: -9.177 where: short stacking energy: -9.177 Base-Backbone interact. energy: -0.000 local terms energy: -20.158618 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -1.503 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: 9, replica: 6 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -31.233215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.233215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.233215 (E_RNA) where: Base-Base interactions energy: -5.567 where: short stacking energy: -5.567 Base-Backbone interact. energy: -0.084 local terms energy: -25.581862 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -3.463 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: 10, replica: 2 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -28.950005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.950005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.950005 (E_RNA) where: Base-Base interactions energy: -3.823 where: short stacking energy: -3.823 Base-Backbone interact. energy: -0.000 local terms energy: -25.126966 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -3.349 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: 1, replica: 4 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -36.490558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.490558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.490558 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.004 local terms energy: -24.878207 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -35.531534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.531534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.531534 (E_RNA) where: Base-Base interactions energy: -9.331 where: short stacking energy: -9.331 Base-Backbone interact. energy: -0.000 local terms energy: -26.200251 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -37.311561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.311561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.311561 (E_RNA) where: Base-Base interactions energy: -8.635 where: short stacking energy: -8.635 Base-Backbone interact. energy: -0.000 local terms energy: -28.676284 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -5.351 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: 9 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -32.191622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.191622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.191622 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.000 local terms energy: -25.631079 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -4.162 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: 5, replica: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -31.605702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.605702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.605702 (E_RNA) where: Base-Base interactions energy: -10.725 where: short stacking energy: -10.725 Base-Backbone interact. energy: -0.208 local terms energy: -20.672832 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: 0.339 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: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -32.992230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.992230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.992230 (E_RNA) where: Base-Base interactions energy: -11.840 where: short stacking energy: -11.186 Base-Backbone interact. energy: -0.030 local terms energy: -21.122191 where: bonds (distance) C4'-P energy: -4.970 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -4.051 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: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -37.540827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.540827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.540827 (E_RNA) where: Base-Base interactions energy: -13.309 where: short stacking energy: -13.309 Base-Backbone interact. energy: -0.003 local terms energy: -24.228756 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -4.057 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: 8, replica: 6 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -31.231624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.231624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.231624 (E_RNA) where: Base-Base interactions energy: -5.208 where: short stacking energy: -5.208 Base-Backbone interact. energy: -0.000 local terms energy: -26.023354 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -31.404130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.404130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.404130 (E_RNA) where: Base-Base interactions energy: -7.874 where: short stacking energy: -7.874 Base-Backbone interact. energy: 0.577 local terms energy: -24.107358 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -5.578 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: 10, replica: 2 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -29.011050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.011050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.011050 (E_RNA) where: Base-Base interactions energy: -8.766 where: short stacking energy: -8.766 Base-Backbone interact. energy: -0.064 local terms energy: -20.181647 where: bonds (distance) C4'-P energy: -3.082 bonds (distance) P-C4' energy: -6.228 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.835 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: 1, replica: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -39.601746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.601746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.601746 (E_RNA) where: Base-Base interactions energy: -14.295 where: short stacking energy: -14.295 Base-Backbone interact. energy: -0.091 local terms energy: -25.215730 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -36.258975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.258975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.258975 (E_RNA) where: Base-Base interactions energy: -9.495 where: short stacking energy: -9.495 Base-Backbone interact. energy: -0.202 local terms energy: -26.562148 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -5.580 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: 3, replica: 9 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -33.763446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.763446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.763446 (E_RNA) where: Base-Base interactions energy: -8.609 where: short stacking energy: -8.609 Base-Backbone interact. energy: -0.212 local terms energy: -24.942897 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -5.453 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: 4, replica: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -35.599292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.599292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.599292 (E_RNA) where: Base-Base interactions energy: -9.786 where: short stacking energy: -9.786 Base-Backbone interact. energy: -0.045 local terms energy: -25.768831 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -5.552 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: 5, replica: 1 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -35.808289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.808289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.808289 (E_RNA) where: Base-Base interactions energy: -9.835 where: short stacking energy: -9.835 Base-Backbone interact. energy: -0.013 local terms energy: -25.960029 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -3.622 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: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -33.166910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.166910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.166910 (E_RNA) where: Base-Base interactions energy: -8.107 where: short stacking energy: -8.107 Base-Backbone interact. energy: -0.030 local terms energy: -25.029650 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -30.093952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.093952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.093952 (E_RNA) where: Base-Base interactions energy: -8.821 where: short stacking energy: -8.821 Base-Backbone interact. energy: -0.000 local terms energy: -21.272397 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -1.966 tors. eta vs tors. theta energy: -1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -30.857880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.857880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.857880 (E_RNA) where: Base-Base interactions energy: -9.795 where: short stacking energy: -9.795 Base-Backbone interact. energy: -0.001 local terms energy: -21.062545 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -3.044 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -4.115 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: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -34.155146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.155146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.155146 (E_RNA) where: Base-Base interactions energy: -7.767 where: short stacking energy: -7.767 Base-Backbone interact. energy: -0.001 local terms energy: -26.386689 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -2.679 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: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -30.124943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.124943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.124943 (E_RNA) where: Base-Base interactions energy: -6.971 where: short stacking energy: -6.971 Base-Backbone interact. energy: -0.003 local terms energy: -23.151563 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -5.864 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: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -32.510059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.510059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.510059 (E_RNA) where: Base-Base interactions energy: -7.936 where: short stacking energy: -6.874 Base-Backbone interact. energy: 0.559 local terms energy: -25.133632 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -35.302157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.302157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.302157 (E_RNA) where: Base-Base interactions energy: -11.089 where: short stacking energy: -11.089 Base-Backbone interact. energy: -0.001 local terms energy: -24.211532 where: bonds (distance) C4'-P energy: -7.541 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -4.350 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: 9 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -35.600787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.600787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.600787 (E_RNA) where: Base-Base interactions energy: -10.756 where: short stacking energy: -10.756 Base-Backbone interact. energy: -0.055 local terms energy: -24.789887 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -39.255228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.255228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.255228 (E_RNA) where: Base-Base interactions energy: -11.143 where: short stacking energy: -11.143 Base-Backbone interact. energy: -0.056 local terms energy: -28.056449 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -4.977 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: 8 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -33.874738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.874738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.874738 (E_RNA) where: Base-Base interactions energy: -11.200 where: short stacking energy: -11.200 Base-Backbone interact. energy: -0.517 local terms energy: -22.157249 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -2.982 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -31.200864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.200864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.200864 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -0.088 local terms energy: -23.602149 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -4.884 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: 7, replica: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -28.990349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.990349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.990349 (E_RNA) where: Base-Base interactions energy: -7.273 where: short stacking energy: -7.273 Base-Backbone interact. energy: -0.022 local terms energy: -21.694470 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: 1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -30.287416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.287416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.287416 (E_RNA) where: Base-Base interactions energy: -3.112 where: short stacking energy: -3.112 Base-Backbone interact. energy: -0.000 local terms energy: -27.175852 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -31.396091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.396091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.396091 (E_RNA) where: Base-Base interactions energy: -6.723 where: short stacking energy: -6.723 Base-Backbone interact. energy: -0.005 local terms energy: -24.667796 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -3.632 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: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -27.333642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.333642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.333642 (E_RNA) where: Base-Base interactions energy: -7.418 where: short stacking energy: -7.418 Base-Backbone interact. energy: -0.034 local terms energy: -19.880976 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -2.626 flat angles P-C4'-P energy: -4.145 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: 4 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -44.865136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.865136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.865136 (E_RNA) where: Base-Base interactions energy: -14.970 where: short stacking energy: -14.970 Base-Backbone interact. energy: -0.003 local terms energy: -29.892260 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -5.900 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: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -44.234709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.234709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.234709 (E_RNA) where: Base-Base interactions energy: -16.906 where: short stacking energy: -11.108 Base-Backbone interact. energy: -0.000 local terms energy: -27.329045 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -4.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -40.332496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.332496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.332496 (E_RNA) where: Base-Base interactions energy: -12.524 where: short stacking energy: -12.524 Base-Backbone interact. energy: -0.061 local terms energy: -27.747646 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -4.658 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: 4, replica: 9 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -32.588108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.588108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.588108 (E_RNA) where: Base-Base interactions energy: -8.135 where: short stacking energy: -8.135 Base-Backbone interact. energy: -0.093 local terms energy: -24.360335 where: bonds (distance) C4'-P energy: -4.200 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -4.715 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: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -37.982394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.982394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.982394 (E_RNA) where: Base-Base interactions energy: -13.260 where: short stacking energy: -13.260 Base-Backbone interact. energy: -0.000 local terms energy: -24.722848 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -4.772 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -32.617352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.617352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.617352 (E_RNA) where: Base-Base interactions energy: -8.522 where: short stacking energy: -8.522 Base-Backbone interact. energy: -0.000 local terms energy: -24.095462 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -3.745 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: 7, replica: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -29.387851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.387851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.387851 (E_RNA) where: Base-Base interactions energy: -6.156 where: short stacking energy: -6.156 Base-Backbone interact. energy: -0.046 local terms energy: -23.185792 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -28.774222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.774222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.774222 (E_RNA) where: Base-Base interactions energy: -7.320 where: short stacking energy: -7.320 Base-Backbone interact. energy: -0.159 local terms energy: -21.295060 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -5.396 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: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -31.080981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.080981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.080981 (E_RNA) where: Base-Base interactions energy: -6.492 where: short stacking energy: -6.492 Base-Backbone interact. energy: -0.092 local terms energy: -24.496788 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -26.939862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.939862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.939862 (E_RNA) where: Base-Base interactions energy: -7.328 where: short stacking energy: -7.328 Base-Backbone interact. energy: -0.009 local terms energy: -19.602808 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -0.861 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: 4 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -38.983849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.983849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.983849 (E_RNA) where: Base-Base interactions energy: -11.240 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.007 local terms energy: -27.736373 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.303 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: 2, replica: 1 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -42.750469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.750469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.750469 (E_RNA) where: Base-Base interactions energy: -14.816 where: short stacking energy: -14.816 Base-Backbone interact. energy: -0.000 local terms energy: -27.934454 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -4.456 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: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -34.137947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.137947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.137947 (E_RNA) where: Base-Base interactions energy: -9.260 where: short stacking energy: -9.260 Base-Backbone interact. energy: -0.008 local terms energy: -24.870598 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -2.984 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: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -34.673989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.673989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.673989 (E_RNA) where: Base-Base interactions energy: -7.672 where: short stacking energy: -6.085 Base-Backbone interact. energy: -0.904 local terms energy: -26.097930 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -4.054 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: 5, replica: 9 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -29.956161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.956161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.956161 (E_RNA) where: Base-Base interactions energy: -8.497 where: short stacking energy: -8.497 Base-Backbone interact. energy: -0.094 local terms energy: -21.364660 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -6.034 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: 6, replica: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -30.779674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.779674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.779674 (E_RNA) where: Base-Base interactions energy: -8.066 where: short stacking energy: -7.419 Base-Backbone interact. energy: -0.004 local terms energy: -22.709693 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -3.324 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: 7, replica: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -31.144984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.144984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.144984 (E_RNA) where: Base-Base interactions energy: -6.740 where: short stacking energy: -3.079 Base-Backbone interact. energy: -0.114 local terms energy: -24.290776 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -3.135 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: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -32.013016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.013016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.013016 (E_RNA) where: Base-Base interactions energy: -8.314 where: short stacking energy: -8.714 Base-Backbone interact. energy: -0.076 local terms energy: -23.623145 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -4.787 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: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -26.377928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.377928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.377928 (E_RNA) where: Base-Base interactions energy: -4.571 where: short stacking energy: -3.931 Base-Backbone interact. energy: -0.069 local terms energy: -21.737554 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -5.064 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: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -26.028059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.028059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.028059 (E_RNA) where: Base-Base interactions energy: -6.181 where: short stacking energy: -6.181 Base-Backbone interact. energy: 0.569 local terms energy: -20.415968 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -4.784 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: 0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -43.531323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.531323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.531323 (E_RNA) where: Base-Base interactions energy: -15.060 where: short stacking energy: -15.060 Base-Backbone interact. energy: -0.093 local terms energy: -28.378728 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -5.451 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: 2, replica: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -36.458385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.458385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.458385 (E_RNA) where: Base-Base interactions energy: -7.421 where: short stacking energy: -7.421 Base-Backbone interact. energy: -0.010 local terms energy: -29.028078 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -2.982 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: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -37.255256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.255256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.255256 (E_RNA) where: Base-Base interactions energy: -11.797 where: short stacking energy: -11.797 Base-Backbone interact. energy: -0.077 local terms energy: -25.382111 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -2.755 flat angles P-C4'-P energy: -5.168 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: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -34.989955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.989955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.989955 (E_RNA) where: Base-Base interactions energy: -11.994 where: short stacking energy: -11.994 Base-Backbone interact. energy: -0.010 local terms energy: -22.985479 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -1.732 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -33.336830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.336830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.336830 (E_RNA) where: Base-Base interactions energy: -5.869 where: short stacking energy: -5.869 Base-Backbone interact. energy: -0.000 local terms energy: -27.468297 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -34.932627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.932627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.932627 (E_RNA) where: Base-Base interactions energy: -10.014 where: short stacking energy: -10.014 Base-Backbone interact. energy: -0.001 local terms energy: -24.917036 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -4.797 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: 7, replica: 10 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -30.925895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.925895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.925895 (E_RNA) where: Base-Base interactions energy: -5.815 where: short stacking energy: -5.815 Base-Backbone interact. energy: -0.100 local terms energy: -25.010988 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -4.388 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: 8, replica: 8 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -32.740076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.740076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.740076 (E_RNA) where: Base-Base interactions energy: -8.287 where: short stacking energy: -8.287 Base-Backbone interact. energy: -0.049 local terms energy: -24.404922 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -28.168534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.168534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.168534 (E_RNA) where: Base-Base interactions energy: -2.709 where: short stacking energy: -2.709 Base-Backbone interact. energy: -0.000 local terms energy: -25.459465 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -25.342043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.342043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.342043 (E_RNA) where: Base-Base interactions energy: -3.494 where: short stacking energy: -3.494 Base-Backbone interact. energy: -0.142 local terms energy: -21.706515 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -3.137 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: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -35.462381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.462381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.462381 (E_RNA) where: Base-Base interactions energy: -7.783 where: short stacking energy: -7.783 Base-Backbone interact. energy: -0.080 local terms energy: -27.599431 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -36.190166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.190166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.190166 (E_RNA) where: Base-Base interactions energy: -9.342 where: short stacking energy: -9.342 Base-Backbone interact. energy: -0.034 local terms energy: -26.814420 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -5.446 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: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -37.098128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.098128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.098128 (E_RNA) where: Base-Base interactions energy: -10.562 where: short stacking energy: -10.562 Base-Backbone interact. energy: -0.000 local terms energy: -26.536101 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -2.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -35.078780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.078780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.078780 (E_RNA) where: Base-Base interactions energy: -13.410 where: short stacking energy: -10.241 Base-Backbone interact. energy: -0.016 local terms energy: -21.652139 where: bonds (distance) C4'-P energy: -4.498 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -31.621241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.621241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.621241 (E_RNA) where: Base-Base interactions energy: -5.972 where: short stacking energy: -5.972 Base-Backbone interact. energy: -0.001 local terms energy: -25.648600 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -0.755 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: 6, replica: 10 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -33.965977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.965977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.965977 (E_RNA) where: Base-Base interactions energy: -10.209 where: short stacking energy: -10.209 Base-Backbone interact. energy: -0.100 local terms energy: -23.656973 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -33.240066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.240066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.240066 (E_RNA) where: Base-Base interactions energy: -7.871 where: short stacking energy: -7.871 Base-Backbone interact. energy: -0.000 local terms energy: -25.369442 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -3.588 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: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -29.397412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.397412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.397412 (E_RNA) where: Base-Base interactions energy: -7.472 where: short stacking energy: -7.472 Base-Backbone interact. energy: -0.039 local terms energy: -21.886260 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: 0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -32.842583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.842583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.842583 (E_RNA) where: Base-Base interactions energy: -9.554 where: short stacking energy: -9.554 Base-Backbone interact. energy: -0.099 local terms energy: -23.188992 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -25.002503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.002503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.002503 (E_RNA) where: Base-Base interactions energy: -4.469 where: short stacking energy: -4.469 Base-Backbone interact. energy: -0.086 local terms energy: -20.447885 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -4.999 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: 1, replica: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -36.956139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.956139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.956139 (E_RNA) where: Base-Base interactions energy: -10.296 where: short stacking energy: -10.296 Base-Backbone interact. energy: -0.000 local terms energy: -26.660324 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -33.458780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.458780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.458780 (E_RNA) where: Base-Base interactions energy: -9.655 where: short stacking energy: -6.821 Base-Backbone interact. energy: -0.433 local terms energy: -23.370387 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -5.431 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: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -34.731233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.731233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.731233 (E_RNA) where: Base-Base interactions energy: -9.423 where: short stacking energy: -9.423 Base-Backbone interact. energy: -0.000 local terms energy: -25.308223 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -4.210 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -38.656298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.656298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.656298 (E_RNA) where: Base-Base interactions energy: -11.945 where: short stacking energy: -11.945 Base-Backbone interact. energy: -0.000 local terms energy: -26.711016 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -3.706 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -5.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -35.350759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.350759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.350759 (E_RNA) where: Base-Base interactions energy: -8.449 where: short stacking energy: -8.449 Base-Backbone interact. energy: -0.018 local terms energy: -26.884211 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -5.994 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: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -33.522158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.522158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.522158 (E_RNA) where: Base-Base interactions energy: -7.899 where: short stacking energy: -7.899 Base-Backbone interact. energy: -0.484 local terms energy: -25.138313 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -4.644 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: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -30.371903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.371903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.371903 (E_RNA) where: Base-Base interactions energy: -6.647 where: short stacking energy: -6.647 Base-Backbone interact. energy: -0.006 local terms energy: -23.719127 where: bonds (distance) C4'-P energy: -5.007 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -5.626 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: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -33.325194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.325194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.325194 (E_RNA) where: Base-Base interactions energy: -6.415 where: short stacking energy: -6.415 Base-Backbone interact. energy: -0.084 local terms energy: -26.825809 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -4.375 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: 9, replica: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -31.733309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.733309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.733309 (E_RNA) where: Base-Base interactions energy: -10.021 where: short stacking energy: -10.202 Base-Backbone interact. energy: -0.055 local terms energy: -21.657390 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -27.464050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.464050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.464050 (E_RNA) where: Base-Base interactions energy: -4.804 where: short stacking energy: -4.804 Base-Backbone interact. energy: -0.000 local terms energy: -22.659586 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -6.200 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -0.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -41.700558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.700558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.700558 (E_RNA) where: Base-Base interactions energy: -10.858 where: short stacking energy: -10.858 Base-Backbone interact. energy: -0.000 local terms energy: -30.842825 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -5.830 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: 2 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -35.660363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.660363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.660363 (E_RNA) where: Base-Base interactions energy: -8.670 where: short stacking energy: -7.336 Base-Backbone interact. energy: -0.816 local terms energy: -26.174136 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -6.062 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: 3, replica: 1 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -35.874814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.874814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.874814 (E_RNA) where: Base-Base interactions energy: -9.935 where: short stacking energy: -9.935 Base-Backbone interact. energy: -0.039 local terms energy: -25.901235 where: bonds (distance) C4'-P energy: -3.294 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -33.103407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.103407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.103407 (E_RNA) where: Base-Base interactions energy: -8.278 where: short stacking energy: -8.278 Base-Backbone interact. energy: -0.054 local terms energy: -24.771039 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -4.684 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: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -33.023764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.023764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.023764 (E_RNA) where: Base-Base interactions energy: -8.778 where: short stacking energy: -8.408 Base-Backbone interact. energy: -0.002 local terms energy: -24.244009 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -4.050 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.187 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: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -33.780273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.780273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.780273 (E_RNA) where: Base-Base interactions energy: -6.919 where: short stacking energy: -6.919 Base-Backbone interact. energy: -0.000 local terms energy: -26.861730 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -4.451 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: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -32.781317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.781317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.781317 (E_RNA) where: Base-Base interactions energy: -8.502 where: short stacking energy: -8.502 Base-Backbone interact. energy: -0.001 local terms energy: -24.278050 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -1.956 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -30.777652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.777652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.777652 (E_RNA) where: Base-Base interactions energy: -8.783 where: short stacking energy: -8.783 Base-Backbone interact. energy: -0.000 local terms energy: -21.995036 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.092 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: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -32.950321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.950321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.950321 (E_RNA) where: Base-Base interactions energy: -10.413 where: short stacking energy: -10.413 Base-Backbone interact. energy: -0.000 local terms energy: -22.537537 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -3.495 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -3.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -29.560464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.560464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.560464 (E_RNA) where: Base-Base interactions energy: -7.068 where: short stacking energy: -7.068 Base-Backbone interact. energy: -0.163 local terms energy: -22.329990 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -3.172 flat angles P-C4'-P energy: -5.896 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: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -41.090584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.090584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.090584 (E_RNA) where: Base-Base interactions energy: -11.226 where: short stacking energy: -11.226 Base-Backbone interact. energy: 0.515 local terms energy: -30.379542 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -5.182 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: 2 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -36.597189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.597189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.597189 (E_RNA) where: Base-Base interactions energy: -7.415 where: short stacking energy: -7.415 Base-Backbone interact. energy: -0.002 local terms energy: -29.180816 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -37.654964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.654964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.654964 (E_RNA) where: Base-Base interactions energy: -7.622 where: short stacking energy: -7.622 Base-Backbone interact. energy: -0.011 local terms energy: -30.022755 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -36.433733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.433733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.433733 (E_RNA) where: Base-Base interactions energy: -12.575 where: short stacking energy: -12.575 Base-Backbone interact. energy: -0.000 local terms energy: -23.859066 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -3.762 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: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -33.307935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.307935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.307935 (E_RNA) where: Base-Base interactions energy: -7.716 where: short stacking energy: -7.716 Base-Backbone interact. energy: -0.000 local terms energy: -25.591596 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -5.762 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: 6, replica: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -34.668497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.668497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.668497 (E_RNA) where: Base-Base interactions energy: -11.150 where: short stacking energy: -11.906 Base-Backbone interact. energy: -0.067 local terms energy: -23.451813 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -0.888 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: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -30.757312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.757312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.757312 (E_RNA) where: Base-Base interactions energy: -5.476 where: short stacking energy: -5.476 Base-Backbone interact. energy: -0.085 local terms energy: -25.196518 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -28.114321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.114321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.114321 (E_RNA) where: Base-Base interactions energy: -6.352 where: short stacking energy: -6.185 Base-Backbone interact. energy: -0.051 local terms energy: -21.711423 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -2.119 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: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -28.033757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.033757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.033757 (E_RNA) where: Base-Base interactions energy: -6.052 where: short stacking energy: -6.052 Base-Backbone interact. energy: -0.004 local terms energy: -21.977840 where: bonds (distance) C4'-P energy: -4.262 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -4.143 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: 10, replica: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -29.633699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.633699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.633699 (E_RNA) where: Base-Base interactions energy: -6.323 where: short stacking energy: -6.323 Base-Backbone interact. energy: -0.078 local terms energy: -23.232276 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -1.898 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: 1, replica: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -35.661450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.661450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.661450 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.000 local terms energy: -27.637045 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -5.203 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: 2, replica: 2 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -34.992741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.992741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.992741 (E_RNA) where: Base-Base interactions energy: -10.475 where: short stacking energy: -10.475 Base-Backbone interact. energy: -0.000 local terms energy: -24.517789 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -3.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -32.055894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.055894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.055894 (E_RNA) where: Base-Base interactions energy: -7.038 where: short stacking energy: -7.038 Base-Backbone interact. energy: -0.025 local terms energy: -24.993313 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -2.425 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -34.219417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.219417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.219417 (E_RNA) where: Base-Base interactions energy: -7.079 where: short stacking energy: -7.079 Base-Backbone interact. energy: -0.000 local terms energy: -27.140258 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -3.682 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: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -36.679492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.679492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.679492 (E_RNA) where: Base-Base interactions energy: -14.611 where: short stacking energy: -14.611 Base-Backbone interact. energy: -0.038 local terms energy: -22.030721 where: bonds (distance) C4'-P energy: -4.432 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.691 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: 6, replica: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -32.685889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.685889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.685889 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.045 local terms energy: -25.380169 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -4.146 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: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -31.414939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.414939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.414939 (E_RNA) where: Base-Base interactions energy: -7.416 where: short stacking energy: -7.416 Base-Backbone interact. energy: -0.013 local terms energy: -23.985908 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -4.727 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: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -30.823165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.823165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.823165 (E_RNA) where: Base-Base interactions energy: -7.172 where: short stacking energy: -7.172 Base-Backbone interact. energy: -0.260 local terms energy: -23.391299 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: 0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -30.229673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.229673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.229673 (E_RNA) where: Base-Base interactions energy: -9.872 where: short stacking energy: -9.872 Base-Backbone interact. energy: -0.005 local terms energy: -20.353184 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -1.708 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: 10, replica: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -27.021521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.021521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.021521 (E_RNA) where: Base-Base interactions energy: -4.225 where: short stacking energy: -4.225 Base-Backbone interact. energy: -0.129 local terms energy: -22.667506 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -1.877 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: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -43.227003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.227003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.227003 (E_RNA) where: Base-Base interactions energy: -14.939 where: short stacking energy: -14.939 Base-Backbone interact. energy: -0.000 local terms energy: -28.288159 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -4.604 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: 2, replica: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -36.034371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.034371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.034371 (E_RNA) where: Base-Base interactions energy: -10.132 where: short stacking energy: -10.132 Base-Backbone interact. energy: -0.000 local terms energy: -25.901496 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.672 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: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -34.776681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.776681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.776681 (E_RNA) where: Base-Base interactions energy: -12.112 where: short stacking energy: -12.112 Base-Backbone interact. energy: -0.150 local terms energy: -22.515152 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -2.087 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: 1 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -37.289768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.289768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.289768 (E_RNA) where: Base-Base interactions energy: -10.410 where: short stacking energy: -10.410 Base-Backbone interact. energy: -0.036 local terms energy: -26.844308 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -34.515086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.515086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.515086 (E_RNA) where: Base-Base interactions energy: -11.668 where: short stacking energy: -11.668 Base-Backbone interact. energy: -0.066 local terms energy: -22.781228 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -4.641 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: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -31.659948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.659948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.659948 (E_RNA) where: Base-Base interactions energy: -3.240 where: short stacking energy: -3.240 Base-Backbone interact. energy: -0.107 local terms energy: -28.312905 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -2.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -31.589608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.589608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.589608 (E_RNA) where: Base-Base interactions energy: -8.769 where: short stacking energy: -7.677 Base-Backbone interact. energy: -0.000 local terms energy: -22.819870 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -2.855 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: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -29.804679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.804679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.804679 (E_RNA) where: Base-Base interactions energy: -5.917 where: short stacking energy: -5.917 Base-Backbone interact. energy: -0.000 local terms energy: -23.887361 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.179 flat angles P-C4'-P energy: -4.184 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: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -29.032652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.032652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.032652 (E_RNA) where: Base-Base interactions energy: -3.748 where: short stacking energy: -3.748 Base-Backbone interact. energy: -0.100 local terms energy: -25.184248 where: bonds (distance) C4'-P energy: -4.961 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -4.139 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: 5 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -27.754309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.754309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.754309 (E_RNA) where: Base-Base interactions energy: -10.709 where: short stacking energy: -10.709 Base-Backbone interact. energy: -0.016 local terms energy: -17.029330 where: bonds (distance) C4'-P energy: -3.798 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -3.986 flat angles P-C4'-P energy: -2.244 tors. eta vs tors. theta energy: -0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -37.626523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.626523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.626523 (E_RNA) where: Base-Base interactions energy: -11.492 where: short stacking energy: -11.492 Base-Backbone interact. energy: -0.103 local terms energy: -26.031427 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -3.923 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: 2, replica: 7 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -38.975080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.975080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.975080 (E_RNA) where: Base-Base interactions energy: -14.443 where: short stacking energy: -14.443 Base-Backbone interact. energy: -0.009 local terms energy: -24.522780 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -4.393 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: 161 Temperature: 1.000000 Total energy: -33.499503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.499503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.499503 (E_RNA) where: Base-Base interactions energy: -10.367 where: short stacking energy: -10.367 Base-Backbone interact. energy: -0.001 local terms energy: -23.130865 where: bonds (distance) C4'-P energy: -5.180 bonds (distance) P-C4' energy: -5.715 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -5.721 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: 4, replica: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -36.250442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.250442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.250442 (E_RNA) where: Base-Base interactions energy: -11.757 where: short stacking energy: -11.757 Base-Backbone interact. energy: -0.006 local terms energy: -24.487545 where: bonds (distance) C4'-P energy: -5.649 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -37.327059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.327059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.327059 (E_RNA) where: Base-Base interactions energy: -9.112 where: short stacking energy: -9.112 Base-Backbone interact. energy: -0.002 local terms energy: -28.213648 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.394 flat angles P-C4'-P energy: -5.403 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: 6, replica: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -32.310821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.310821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.310821 (E_RNA) where: Base-Base interactions energy: -5.867 where: short stacking energy: -4.776 Base-Backbone interact. energy: -0.000 local terms energy: -26.443372 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -3.993 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: 161 Temperature: 1.200000 Total energy: -29.528541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.528541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.528541 (E_RNA) where: Base-Base interactions energy: -4.119 where: short stacking energy: -4.119 Base-Backbone interact. energy: -0.000 local terms energy: -25.409893 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -4.677 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: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -28.909818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.909818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.909818 (E_RNA) where: Base-Base interactions energy: -2.858 where: short stacking energy: -2.858 Base-Backbone interact. energy: 0.278 local terms energy: -26.330350 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: 0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -34.711242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.711242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.711242 (E_RNA) where: Base-Base interactions energy: -11.265 where: short stacking energy: -11.265 Base-Backbone interact. energy: -0.010 local terms energy: -23.436031 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -32.469286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.469286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.469286 (E_RNA) where: Base-Base interactions energy: -7.300 where: short stacking energy: -7.300 Base-Backbone interact. energy: -0.002 local terms energy: -25.167033 where: bonds (distance) C4'-P energy: -5.397 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -3.929 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: 1, replica: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -40.000137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.000137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.000137 (E_RNA) where: Base-Base interactions energy: -12.875 where: short stacking energy: -12.875 Base-Backbone interact. energy: -0.021 local terms energy: -27.104228 where: bonds (distance) C4'-P energy: -5.107 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -4.413 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: 2, replica: 2 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -34.429315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.429315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.429315 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -11.310 Base-Backbone interact. energy: -0.456 local terms energy: -22.663179 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -4.195 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: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -40.233831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.233831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.233831 (E_RNA) where: Base-Base interactions energy: -13.704 where: short stacking energy: -13.704 Base-Backbone interact. energy: 0.258 local terms energy: -26.787780 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -5.221 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: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -35.886830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.886830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.886830 (E_RNA) where: Base-Base interactions energy: -12.811 where: short stacking energy: -12.811 Base-Backbone interact. energy: -0.000 local terms energy: -23.075487 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -2.888 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: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -32.147394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.147394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.147394 (E_RNA) where: Base-Base interactions energy: -8.000 where: short stacking energy: -8.000 Base-Backbone interact. energy: -0.142 local terms energy: -24.004824 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -4.410 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: 6, replica: 1 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -30.770907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.770907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.770907 (E_RNA) where: Base-Base interactions energy: -6.635 where: short stacking energy: -6.635 Base-Backbone interact. energy: -0.929 local terms energy: -23.206981 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -1.752 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: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -31.001426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.001426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.001426 (E_RNA) where: Base-Base interactions energy: -5.924 where: short stacking energy: -5.336 Base-Backbone interact. energy: -0.080 local terms energy: -24.997302 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -4.300 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: 8, replica: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -32.513546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.513546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.513546 (E_RNA) where: Base-Base interactions energy: -9.030 where: short stacking energy: -9.030 Base-Backbone interact. energy: -0.000 local terms energy: -23.483592 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -37.212174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.212174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.212174 (E_RNA) where: Base-Base interactions energy: -10.117 where: short stacking energy: -10.117 Base-Backbone interact. energy: -0.003 local terms energy: -27.091364 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -32.083453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.083453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.083453 (E_RNA) where: Base-Base interactions energy: -7.733 where: short stacking energy: -7.733 Base-Backbone interact. energy: -0.121 local terms energy: -24.229494 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -3.135 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: 1, replica: 7 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -41.989896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.989896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.989896 (E_RNA) where: Base-Base interactions energy: -13.895 where: short stacking energy: -13.895 Base-Backbone interact. energy: -0.000 local terms energy: -28.094527 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -4.213 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: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -40.804196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.804196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.804196 (E_RNA) where: Base-Base interactions energy: -11.998 where: short stacking energy: -11.998 Base-Backbone interact. energy: -0.004 local terms energy: -28.801936 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -5.057 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: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -36.438827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.438827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.438827 (E_RNA) where: Base-Base interactions energy: -15.806 where: short stacking energy: -15.806 Base-Backbone interact. energy: -0.152 local terms energy: -20.481166 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -4.930 flat angles P-C4'-P energy: -4.310 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: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -31.367258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.367258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.367258 (E_RNA) where: Base-Base interactions energy: -10.858 where: short stacking energy: -10.858 Base-Backbone interact. energy: -0.137 local terms energy: -20.372586 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -1.786 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -32.399328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.399328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.399328 (E_RNA) where: Base-Base interactions energy: -7.783 where: short stacking energy: -7.783 Base-Backbone interact. energy: -0.000 local terms energy: -24.616303 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -33.298110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.298110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.298110 (E_RNA) where: Base-Base interactions energy: -9.832 where: short stacking energy: -9.832 Base-Backbone interact. energy: -0.139 local terms energy: -23.327463 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -3.296 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: 7, replica: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -34.268607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.268607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.268607 (E_RNA) where: Base-Base interactions energy: -6.279 where: short stacking energy: -6.279 Base-Backbone interact. energy: -0.000 local terms energy: -27.989598 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -5.350 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: 5 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -28.071414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.071414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.071414 (E_RNA) where: Base-Base interactions energy: -5.859 where: short stacking energy: -5.859 Base-Backbone interact. energy: -0.246 local terms energy: -21.966005 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -5.332 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: 9, replica: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -28.890002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.890002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.890002 (E_RNA) where: Base-Base interactions energy: -3.149 where: short stacking energy: -3.149 Base-Backbone interact. energy: -0.018 local terms energy: -25.722914 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -5.483 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -4.444 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: 10, replica: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -29.150738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.150738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.150738 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.294 Base-Backbone interact. energy: -0.041 local terms energy: -21.527515 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -2.681 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: 1, replica: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -40.179699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.179699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.179699 (E_RNA) where: Base-Base interactions energy: -11.586 where: short stacking energy: -11.586 Base-Backbone interact. energy: -0.004 local terms energy: -28.589258 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -4.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -32.385916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.385916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.385916 (E_RNA) where: Base-Base interactions energy: -3.269 where: short stacking energy: -2.500 Base-Backbone interact. energy: -0.005 local terms energy: -29.112105 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -35.510156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.510156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.510156 (E_RNA) where: Base-Base interactions energy: -9.155 where: short stacking energy: -9.155 Base-Backbone interact. energy: -0.013 local terms energy: -26.341754 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -1.522 tors. eta vs tors. theta energy: -4.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -38.341094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.341094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.341094 (E_RNA) where: Base-Base interactions energy: -11.552 where: short stacking energy: -11.552 Base-Backbone interact. energy: -0.016 local terms energy: -26.773280 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -4.230 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: 5, replica: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -33.113772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.113772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.113772 (E_RNA) where: Base-Base interactions energy: -7.373 where: short stacking energy: -7.373 Base-Backbone interact. energy: -0.023 local terms energy: -25.718111 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -5.356 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: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -35.999696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.999696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.999696 (E_RNA) where: Base-Base interactions energy: -12.572 where: short stacking energy: -12.572 Base-Backbone interact. energy: -0.095 local terms energy: -23.333387 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -4.609 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -31.668423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.668423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.668423 (E_RNA) where: Base-Base interactions energy: -11.265 where: short stacking energy: -11.265 Base-Backbone interact. energy: -0.006 local terms energy: -20.397361 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -3.756 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: 0.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -28.936681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.936681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.936681 (E_RNA) where: Base-Base interactions energy: -8.193 where: short stacking energy: -8.193 Base-Backbone interact. energy: -0.009 local terms energy: -20.735007 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: 0.519 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: 4 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -26.731918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.731918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.731918 (E_RNA) where: Base-Base interactions energy: -2.322 where: short stacking energy: -2.322 Base-Backbone interact. energy: -0.007 local terms energy: -24.403102 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -3.914 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: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -28.627802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.627802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.627802 (E_RNA) where: Base-Base interactions energy: -8.606 where: short stacking energy: -8.606 Base-Backbone interact. energy: -0.000 local terms energy: -20.021240 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -2.705 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -38.025166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.025166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.025166 (E_RNA) where: Base-Base interactions energy: -11.541 where: short stacking energy: -11.541 Base-Backbone interact. energy: -0.099 local terms energy: -26.384679 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -4.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -36.087695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.087695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.087695 (E_RNA) where: Base-Base interactions energy: -10.686 where: short stacking energy: -10.686 Base-Backbone interact. energy: -0.084 local terms energy: -25.317763 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -4.938 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: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -35.659726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.659726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.659726 (E_RNA) where: Base-Base interactions energy: -10.722 where: short stacking energy: -10.722 Base-Backbone interact. energy: -0.034 local terms energy: -24.903205 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -2.200 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: 4, replica: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -35.830684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.830684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.830684 (E_RNA) where: Base-Base interactions energy: -8.063 where: short stacking energy: -7.609 Base-Backbone interact. energy: -1.023 local terms energy: -26.744644 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -4.229 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: 5, replica: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -32.159560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.159560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.159560 (E_RNA) where: Base-Base interactions energy: -7.501 where: short stacking energy: -7.501 Base-Backbone interact. energy: -0.035 local terms energy: -24.623613 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.673 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: 6, replica: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -33.139116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.139116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.139116 (E_RNA) where: Base-Base interactions energy: -7.387 where: short stacking energy: -5.069 Base-Backbone interact. energy: -0.005 local terms energy: -25.747005 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -28.316783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.316783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.316783 (E_RNA) where: Base-Base interactions energy: -5.690 where: short stacking energy: -5.690 Base-Backbone interact. energy: -0.004 local terms energy: -22.622110 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.761 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: 8, replica: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -27.254265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.254265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.254265 (E_RNA) where: Base-Base interactions energy: -4.890 where: short stacking energy: -4.890 Base-Backbone interact. energy: -0.004 local terms energy: -22.359969 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -1.263 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -31.369729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.369729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.369729 (E_RNA) where: Base-Base interactions energy: -8.116 where: short stacking energy: -8.116 Base-Backbone interact. energy: -0.031 local terms energy: -23.222201 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -4.136 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: 165 Temperature: 1.350000 Total energy: -31.097736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.097736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.097736 (E_RNA) where: Base-Base interactions energy: -7.874 where: short stacking energy: -8.296 Base-Backbone interact. energy: -0.002 local terms energy: -23.221294 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -2.677 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: 1, replica: 8 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -38.971645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.971645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.971645 (E_RNA) where: Base-Base interactions energy: -12.032 where: short stacking energy: -12.032 Base-Backbone interact. energy: -0.003 local terms energy: -26.936821 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -4.127 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: 2, replica: 7 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -37.114464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.114464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.114464 (E_RNA) where: Base-Base interactions energy: -9.873 where: short stacking energy: -9.873 Base-Backbone interact. energy: -0.029 local terms energy: -27.212064 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -38.236409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.236409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.236409 (E_RNA) where: Base-Base interactions energy: -14.011 where: short stacking energy: -14.011 Base-Backbone interact. energy: -0.000 local terms energy: -24.225072 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -6.056 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -32.249263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.249263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.249263 (E_RNA) where: Base-Base interactions energy: -9.052 where: short stacking energy: -9.052 Base-Backbone interact. energy: -0.099 local terms energy: -23.098161 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -33.246987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.246987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.246987 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.222 local terms energy: -21.823536 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -1.926 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: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -27.763421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.763421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.763421 (E_RNA) where: Base-Base interactions energy: -4.198 where: short stacking energy: -4.198 Base-Backbone interact. energy: -0.026 local terms energy: -23.539917 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -0.808 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: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -31.893348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.893348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.893348 (E_RNA) where: Base-Base interactions energy: -11.123 where: short stacking energy: -11.123 Base-Backbone interact. energy: -0.029 local terms energy: -20.741032 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -1.277 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -28.445092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.445092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.445092 (E_RNA) where: Base-Base interactions energy: -6.526 where: short stacking energy: -6.526 Base-Backbone interact. energy: -0.000 local terms energy: -21.919042 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -4.401 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: 9, replica: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -25.627665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.627665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.627665 (E_RNA) where: Base-Base interactions energy: -3.881 where: short stacking energy: -3.881 Base-Backbone interact. energy: -0.000 local terms energy: -21.746443 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -28.876210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.876210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.876210 (E_RNA) where: Base-Base interactions energy: -9.942 where: short stacking energy: -9.942 Base-Backbone interact. energy: -0.000 local terms energy: -18.933937 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.276 flat angles P-C4'-P energy: -3.201 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: 8 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -34.819404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.819404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.819404 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.478 Base-Backbone interact. energy: -0.000 local terms energy: -27.341166 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.484 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -41.594218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.594218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.594218 (E_RNA) where: Base-Base interactions energy: -14.689 where: short stacking energy: -14.689 Base-Backbone interact. energy: -0.013 local terms energy: -26.891912 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -35.006455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.006455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.006455 (E_RNA) where: Base-Base interactions energy: -8.345 where: short stacking energy: -8.345 Base-Backbone interact. energy: -0.006 local terms energy: -26.655131 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -30.231038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.231038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.231038 (E_RNA) where: Base-Base interactions energy: -7.287 where: short stacking energy: -7.287 Base-Backbone interact. energy: -0.011 local terms energy: -22.932698 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: 1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -38.076946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.076946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.076946 (E_RNA) where: Base-Base interactions energy: -14.654 where: short stacking energy: -13.175 Base-Backbone interact. energy: -0.067 local terms energy: -23.355879 where: bonds (distance) C4'-P energy: -4.348 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -33.903142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.903142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.903142 (E_RNA) where: Base-Base interactions energy: -11.541 where: short stacking energy: -11.541 Base-Backbone interact. energy: -0.077 local terms energy: -22.284954 where: bonds (distance) C4'-P energy: -2.936 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -33.869919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.869919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.869919 (E_RNA) where: Base-Base interactions energy: -9.990 where: short stacking energy: -9.990 Base-Backbone interact. energy: -0.100 local terms energy: -23.780059 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: 0.813 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: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -33.920182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.920182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.920182 (E_RNA) where: Base-Base interactions energy: -8.939 where: short stacking energy: -9.369 Base-Backbone interact. energy: -0.001 local terms energy: -24.980293 where: bonds (distance) C4'-P energy: -3.853 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -1.914 tors. eta vs tors. theta energy: -5.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -28.994911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.994911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.994911 (E_RNA) where: Base-Base interactions energy: -6.651 where: short stacking energy: -6.651 Base-Backbone interact. energy: -0.003 local terms energy: -22.340667 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -3.527 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -28.948394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.948394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.948394 (E_RNA) where: Base-Base interactions energy: -5.121 where: short stacking energy: -5.121 Base-Backbone interact. energy: -0.001 local terms energy: -23.827183 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -2.765 tors. eta vs tors. theta energy: -3.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -43.573076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.573076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.573076 (E_RNA) where: Base-Base interactions energy: -14.598 where: short stacking energy: -14.598 Base-Backbone interact. energy: -0.019 local terms energy: -28.955775 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -5.198 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: 2, replica: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -36.619257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.619257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.619257 (E_RNA) where: Base-Base interactions energy: -9.979 where: short stacking energy: -9.979 Base-Backbone interact. energy: -0.099 local terms energy: -26.540859 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -5.572 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: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -39.986061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.986061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.986061 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -12.546 Base-Backbone interact. energy: -0.095 local terms energy: -27.344294 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -3.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -35.015055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.015055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.015055 (E_RNA) where: Base-Base interactions energy: -6.316 where: short stacking energy: -6.316 Base-Backbone interact. energy: -0.004 local terms energy: -28.695265 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.580 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: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -31.740007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.740007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.740007 (E_RNA) where: Base-Base interactions energy: -10.023 where: short stacking energy: -10.023 Base-Backbone interact. energy: -0.020 local terms energy: -21.697459 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -3.631 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: 6, replica: 9 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -33.576768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.576768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.576768 (E_RNA) where: Base-Base interactions energy: -10.096 where: short stacking energy: -10.096 Base-Backbone interact. energy: -0.009 local terms energy: -23.471564 where: bonds (distance) C4'-P energy: -5.000 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -32.553468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.553468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.553468 (E_RNA) where: Base-Base interactions energy: -10.483 where: short stacking energy: -9.796 Base-Backbone interact. energy: -0.001 local terms energy: -22.069075 where: bonds (distance) C4'-P energy: -4.145 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -33.020720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.020720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.020720 (E_RNA) where: Base-Base interactions energy: -8.502 where: short stacking energy: -8.502 Base-Backbone interact. energy: -0.143 local terms energy: -24.375790 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -30.335343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.335343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.335343 (E_RNA) where: Base-Base interactions energy: -8.278 where: short stacking energy: -8.278 Base-Backbone interact. energy: -0.017 local terms energy: -22.041171 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -2.848 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: 6 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -28.231833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.231833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.231833 (E_RNA) where: Base-Base interactions energy: -8.968 where: short stacking energy: -8.263 Base-Backbone interact. energy: -0.024 local terms energy: -19.240379 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.600 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: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -44.064363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.064363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.064363 (E_RNA) where: Base-Base interactions energy: -12.769 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.000 local terms energy: -31.294922 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -5.798 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: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -34.431555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.431555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.431555 (E_RNA) where: Base-Base interactions energy: -11.377 where: short stacking energy: -11.377 Base-Backbone interact. energy: -0.077 local terms energy: -22.977916 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -5.360 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: 3, replica: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -37.460925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.460925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.460925 (E_RNA) where: Base-Base interactions energy: -11.719 where: short stacking energy: -11.719 Base-Backbone interact. energy: -0.019 local terms energy: -25.722331 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -39.400787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.400787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.400787 (E_RNA) where: Base-Base interactions energy: -13.187 where: short stacking energy: -10.266 Base-Backbone interact. energy: -0.004 local terms energy: -26.210236 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -35.042206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.042206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.042206 (E_RNA) where: Base-Base interactions energy: -9.824 where: short stacking energy: -9.824 Base-Backbone interact. energy: -0.078 local terms energy: -25.139509 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -3.024 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: 6, replica: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -31.050685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.050685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.050685 (E_RNA) where: Base-Base interactions energy: -6.810 where: short stacking energy: -6.810 Base-Backbone interact. energy: -0.000 local terms energy: -24.240362 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -2.223 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: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -32.759795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.759795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.759795 (E_RNA) where: Base-Base interactions energy: -9.368 where: short stacking energy: -9.368 Base-Backbone interact. energy: -0.011 local terms energy: -23.380306 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -2.643 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: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -34.446492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.446492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.446492 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.062 local terms energy: -23.184164 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -4.951 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: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -28.251587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.251587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.251587 (E_RNA) where: Base-Base interactions energy: -6.311 where: short stacking energy: -6.311 Base-Backbone interact. energy: -0.287 local terms energy: -21.653545 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: 0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -31.826628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.826628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.826628 (E_RNA) where: Base-Base interactions energy: -11.210 where: short stacking energy: -11.210 Base-Backbone interact. energy: -0.002 local terms energy: -20.615540 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -1.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -42.676822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.676822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.676822 (E_RNA) where: Base-Base interactions energy: -14.128 where: short stacking energy: -14.128 Base-Backbone interact. energy: -0.027 local terms energy: -28.522438 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -5.863 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: 7 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -36.814144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.814144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.814144 (E_RNA) where: Base-Base interactions energy: -10.798 where: short stacking energy: -10.798 Base-Backbone interact. energy: -0.000 local terms energy: -26.015981 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -4.687 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: 3, replica: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -33.303947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.303947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.303947 (E_RNA) where: Base-Base interactions energy: -5.976 where: short stacking energy: -6.004 Base-Backbone interact. energy: -0.060 local terms energy: -27.267776 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -5.230 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: 4, replica: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -31.651591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.651591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.651591 (E_RNA) where: Base-Base interactions energy: -5.224 where: short stacking energy: -5.224 Base-Backbone interact. energy: -0.085 local terms energy: -26.342708 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -35.542533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.542533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.542533 (E_RNA) where: Base-Base interactions energy: -13.425 where: short stacking energy: -13.425 Base-Backbone interact. energy: -0.014 local terms energy: -22.103250 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -5.842 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -4.246 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: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -27.239183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.239183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.239183 (E_RNA) where: Base-Base interactions energy: -2.254 where: short stacking energy: -2.254 Base-Backbone interact. energy: -0.004 local terms energy: -24.981224 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -31.520930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.520930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.520930 (E_RNA) where: Base-Base interactions energy: -7.852 where: short stacking energy: -7.852 Base-Backbone interact. energy: -0.043 local terms energy: -23.626064 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -0.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -29.701277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.701277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.701277 (E_RNA) where: Base-Base interactions energy: -8.603 where: short stacking energy: -8.603 Base-Backbone interact. energy: -0.000 local terms energy: -21.097484 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -4.331 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: 9, replica: 6 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -29.900416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.900416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.900416 (E_RNA) where: Base-Base interactions energy: -7.518 where: short stacking energy: -7.518 Base-Backbone interact. energy: -0.002 local terms energy: -22.381184 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -1.064 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -34.551224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.551224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.551224 (E_RNA) where: Base-Base interactions energy: -8.186 where: short stacking energy: -8.186 Base-Backbone interact. energy: -0.001 local terms energy: -26.363817 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -38.415574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.415574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.415574 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.003 local terms energy: -27.357534 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.090 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -3.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -39.463871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.463871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.463871 (E_RNA) where: Base-Base interactions energy: -11.707 where: short stacking energy: -11.707 Base-Backbone interact. energy: 1.200 local terms energy: -28.956633 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -5.747 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: 171 Temperature: 1.000000 Total energy: -33.665817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.665817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.665817 (E_RNA) where: Base-Base interactions energy: -8.093 where: short stacking energy: -8.093 Base-Backbone interact. energy: -0.031 local terms energy: -25.541840 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -40.705390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.705390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.705390 (E_RNA) where: Base-Base interactions energy: -14.668 where: short stacking energy: -14.668 Base-Backbone interact. energy: -0.002 local terms energy: -26.034505 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -3.849 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: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -34.916623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916623 (E_RNA) where: Base-Base interactions energy: -12.892 where: short stacking energy: -12.892 Base-Backbone interact. energy: -0.073 local terms energy: -21.951234 where: bonds (distance) C4'-P energy: -4.440 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.732 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: 6, replica: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -31.068542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.068542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.068542 (E_RNA) where: Base-Base interactions energy: -4.037 where: short stacking energy: -4.037 Base-Backbone interact. energy: -0.021 local terms energy: -27.010961 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -28.097007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.097007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.097007 (E_RNA) where: Base-Base interactions energy: -4.561 where: short stacking energy: -4.561 Base-Backbone interact. energy: -0.169 local terms energy: -23.366256 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -3.833 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: 171 Temperature: 1.250000 Total energy: -29.654953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.654953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.654953 (E_RNA) where: Base-Base interactions energy: -6.488 where: short stacking energy: -5.602 Base-Backbone interact. energy: -0.078 local terms energy: -23.088523 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -3.812 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: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -30.490763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.490763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.490763 (E_RNA) where: Base-Base interactions energy: -8.443 where: short stacking energy: -8.443 Base-Backbone interact. energy: -0.004 local terms energy: -22.043985 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -31.573323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.573323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.573323 (E_RNA) where: Base-Base interactions energy: -6.685 where: short stacking energy: -6.685 Base-Backbone interact. energy: -0.003 local terms energy: -24.885543 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -42.059035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.059035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.059035 (E_RNA) where: Base-Base interactions energy: -14.447 where: short stacking energy: -14.447 Base-Backbone interact. energy: -0.006 local terms energy: -27.605924 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -36.104723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.104723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.104723 (E_RNA) where: Base-Base interactions energy: -11.809 where: short stacking energy: -11.809 Base-Backbone interact. energy: -0.003 local terms energy: -24.292146 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -1.410 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -36.840113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.840113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.840113 (E_RNA) where: Base-Base interactions energy: -8.073 where: short stacking energy: -7.904 Base-Backbone interact. energy: -0.428 local terms energy: -28.338948 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -5.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -38.158619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.158619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.158619 (E_RNA) where: Base-Base interactions energy: -11.185 where: short stacking energy: -11.185 Base-Backbone interact. energy: -0.000 local terms energy: -26.973787 where: bonds (distance) C4'-P energy: -4.606 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -4.197 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: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -29.984940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.984940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.984940 (E_RNA) where: Base-Base interactions energy: -8.201 where: short stacking energy: -8.201 Base-Backbone interact. energy: -0.014 local terms energy: -21.769719 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -1.177 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: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -30.794629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.794629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.794629 (E_RNA) where: Base-Base interactions energy: -3.246 where: short stacking energy: -3.246 Base-Backbone interact. energy: -0.131 local terms energy: -27.417826 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -31.208418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.208418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.208418 (E_RNA) where: Base-Base interactions energy: -7.959 where: short stacking energy: -7.959 Base-Backbone interact. energy: -0.100 local terms energy: -23.149453 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -5.118 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: 8, replica: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -30.464444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.464444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.464444 (E_RNA) where: Base-Base interactions energy: -8.842 where: short stacking energy: -8.842 Base-Backbone interact. energy: -0.186 local terms energy: -21.437206 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -0.824 tors. eta vs tors. theta energy: 0.332 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: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -28.552191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.552191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.552191 (E_RNA) where: Base-Base interactions energy: -1.131 where: short stacking energy: -1.131 Base-Backbone interact. energy: -0.000 local terms energy: -27.420939 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -5.918 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: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -28.091101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.091101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.091101 (E_RNA) where: Base-Base interactions energy: -6.058 where: short stacking energy: -6.058 Base-Backbone interact. energy: -0.057 local terms energy: -21.976048 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -2.594 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: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -41.985752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.985752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.985752 (E_RNA) where: Base-Base interactions energy: -13.812 where: short stacking energy: -13.812 Base-Backbone interact. energy: -0.000 local terms energy: -28.173440 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -3.586 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: 2, replica: 7 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -33.016096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.016096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.016096 (E_RNA) where: Base-Base interactions energy: -6.498 where: short stacking energy: -6.743 Base-Backbone interact. energy: -0.522 local terms energy: -25.996082 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -36.224380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.224380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.224380 (E_RNA) where: Base-Base interactions energy: -12.659 where: short stacking energy: -11.835 Base-Backbone interact. energy: -0.006 local terms energy: -23.559239 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -1.843 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -33.280484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.280484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.280484 (E_RNA) where: Base-Base interactions energy: -11.420 where: short stacking energy: -11.420 Base-Backbone interact. energy: -0.009 local terms energy: -21.851222 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -36.689161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.689161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.689161 (E_RNA) where: Base-Base interactions energy: -12.386 where: short stacking energy: -12.386 Base-Backbone interact. energy: -0.001 local terms energy: -24.302107 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.287 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -33.101106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.101106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.101106 (E_RNA) where: Base-Base interactions energy: -9.475 where: short stacking energy: -8.798 Base-Backbone interact. energy: -0.054 local terms energy: -23.572054 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -4.156 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: 7, replica: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -34.801342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.801342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.801342 (E_RNA) where: Base-Base interactions energy: -9.744 where: short stacking energy: -9.744 Base-Backbone interact. energy: -0.000 local terms energy: -25.057269 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -27.713195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.713195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.713195 (E_RNA) where: Base-Base interactions energy: -5.218 where: short stacking energy: -5.218 Base-Backbone interact. energy: -0.001 local terms energy: -22.494352 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.865 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: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -31.948010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.948010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.948010 (E_RNA) where: Base-Base interactions energy: -10.007 where: short stacking energy: -10.007 Base-Backbone interact. energy: -0.077 local terms energy: -21.864093 where: bonds (distance) C4'-P energy: -6.067 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -4.454 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: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -29.493973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.493973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.493973 (E_RNA) where: Base-Base interactions energy: -8.180 where: short stacking energy: -8.180 Base-Backbone interact. energy: -0.002 local terms energy: -21.311556 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -0.445 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: 1, replica: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -39.171524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.171524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.171524 (E_RNA) where: Base-Base interactions energy: -12.653 where: short stacking energy: -10.839 Base-Backbone interact. energy: 0.814 local terms energy: -27.333092 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.667 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: 2, replica: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -41.264978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.264978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.264978 (E_RNA) where: Base-Base interactions energy: -12.524 where: short stacking energy: -12.524 Base-Backbone interact. energy: -0.015 local terms energy: -28.725486 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -37.668865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.668865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.668865 (E_RNA) where: Base-Base interactions energy: -8.969 where: short stacking energy: -8.969 Base-Backbone interact. energy: -0.000 local terms energy: -28.699603 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -3.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -33.230423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.230423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.230423 (E_RNA) where: Base-Base interactions energy: -5.853 where: short stacking energy: -5.853 Base-Backbone interact. energy: -0.092 local terms energy: -27.285514 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -4.199 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: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -34.468736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.468736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.468736 (E_RNA) where: Base-Base interactions energy: -11.710 where: short stacking energy: -11.710 Base-Backbone interact. energy: -0.015 local terms energy: -22.743937 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -3.437 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -5.408 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: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -36.356526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.356526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.356526 (E_RNA) where: Base-Base interactions energy: -9.885 where: short stacking energy: -9.885 Base-Backbone interact. energy: -0.010 local terms energy: -26.462325 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -5.677 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: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -31.530527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.530527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.530527 (E_RNA) where: Base-Base interactions energy: -9.227 where: short stacking energy: -9.227 Base-Backbone interact. energy: -0.015 local terms energy: -22.288816 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -5.173 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: 8, replica: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -31.317321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.317321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.317321 (E_RNA) where: Base-Base interactions energy: -11.046 where: short stacking energy: -11.046 Base-Backbone interact. energy: -0.158 local terms energy: -20.113157 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -3.778 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: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -33.222805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.222805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.222805 (E_RNA) where: Base-Base interactions energy: -8.499 where: short stacking energy: -8.499 Base-Backbone interact. energy: -0.213 local terms energy: -24.510736 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: 1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -26.239882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.239882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.239882 (E_RNA) where: Base-Base interactions energy: -3.994 where: short stacking energy: -3.994 Base-Backbone interact. energy: -0.020 local terms energy: -22.225877 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -3.082 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: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -36.084541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.084541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.084541 (E_RNA) where: Base-Base interactions energy: -8.638 where: short stacking energy: -8.638 Base-Backbone interact. energy: -0.066 local terms energy: -27.380240 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.395 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -33.549541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.549541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.549541 (E_RNA) where: Base-Base interactions energy: -7.350 where: short stacking energy: -7.950 Base-Backbone interact. energy: -0.011 local terms energy: -26.187688 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -4.968 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: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -40.730174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.730174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.730174 (E_RNA) where: Base-Base interactions energy: -13.973 where: short stacking energy: -13.973 Base-Backbone interact. energy: -0.000 local terms energy: -26.757247 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -37.639779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.639779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.639779 (E_RNA) where: Base-Base interactions energy: -13.210 where: short stacking energy: -13.210 Base-Backbone interact. energy: -0.033 local terms energy: -24.397484 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.639 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: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -36.015605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.015605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.015605 (E_RNA) where: Base-Base interactions energy: -10.499 where: short stacking energy: -10.499 Base-Backbone interact. energy: -0.000 local terms energy: -25.515825 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -5.591 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: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -31.249674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.249674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.249674 (E_RNA) where: Base-Base interactions energy: -10.310 where: short stacking energy: -10.310 Base-Backbone interact. energy: -0.077 local terms energy: -20.862042 where: bonds (distance) C4'-P energy: -2.767 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -4.306 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: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -28.792666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.792666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.792666 (E_RNA) where: Base-Base interactions energy: -7.636 where: short stacking energy: -7.636 Base-Backbone interact. energy: -0.112 local terms energy: -21.044801 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -1.899 tors. eta vs tors. theta energy: 0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -30.031064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.031064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.031064 (E_RNA) where: Base-Base interactions energy: -3.902 where: short stacking energy: -3.902 Base-Backbone interact. energy: -1.095 local terms energy: -25.034392 where: bonds (distance) C4'-P energy: -6.804 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -33.089435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.089435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.089435 (E_RNA) where: Base-Base interactions energy: -9.315 where: short stacking energy: -9.315 Base-Backbone interact. energy: -0.000 local terms energy: -23.773606 where: bonds (distance) C4'-P energy: -2.957 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -4.656 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: 10, replica: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -28.030144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.030144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.030144 (E_RNA) where: Base-Base interactions energy: -6.515 where: short stacking energy: -6.515 Base-Backbone interact. energy: -0.000 local terms energy: -21.515111 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.746 flat angles P-C4'-P energy: -3.155 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: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -33.342763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.342763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.342763 (E_RNA) where: Base-Base interactions energy: -9.604 where: short stacking energy: -9.604 Base-Backbone interact. energy: -0.189 local terms energy: -23.549854 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.132 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: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -39.326645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.326645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.326645 (E_RNA) where: Base-Base interactions energy: -11.868 where: short stacking energy: -11.868 Base-Backbone interact. energy: -0.001 local terms energy: -27.457562 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -4.128 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: 3, replica: 10 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -34.671466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.671466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.671466 (E_RNA) where: Base-Base interactions energy: -9.786 where: short stacking energy: -9.786 Base-Backbone interact. energy: -0.008 local terms energy: -24.878059 where: bonds (distance) C4'-P energy: -4.936 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -3.941 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: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -32.618064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.618064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.618064 (E_RNA) where: Base-Base interactions energy: -11.691 where: short stacking energy: -8.832 Base-Backbone interact. energy: 0.094 local terms energy: -21.021134 where: bonds (distance) C4'-P energy: -3.893 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -5.534 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: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -29.967800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.967800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.967800 (E_RNA) where: Base-Base interactions energy: -6.815 where: short stacking energy: -6.815 Base-Backbone interact. energy: -0.073 local terms energy: -23.079629 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -36.824988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.824988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.824988 (E_RNA) where: Base-Base interactions energy: -11.051 where: short stacking energy: -11.051 Base-Backbone interact. energy: 0.190 local terms energy: -25.963736 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -2.720 flat angles P-C4'-P energy: -4.336 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: 7, replica: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -35.072102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.072102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.072102 (E_RNA) where: Base-Base interactions energy: -11.711 where: short stacking energy: -11.711 Base-Backbone interact. energy: -0.000 local terms energy: -23.360991 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -5.571 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: 176 Temperature: 1.250000 Total energy: -31.651334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.651334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.651334 (E_RNA) where: Base-Base interactions energy: -7.783 where: short stacking energy: -7.783 Base-Backbone interact. energy: -0.004 local terms energy: -23.864532 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -0.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -32.977642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.977642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.977642 (E_RNA) where: Base-Base interactions energy: -9.752 where: short stacking energy: -9.752 Base-Backbone interact. energy: -0.016 local terms energy: -23.209929 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -32.625133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.625133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.625133 (E_RNA) where: Base-Base interactions energy: -10.970 where: short stacking energy: -9.334 Base-Backbone interact. energy: 0.246 local terms energy: -21.900811 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -0.859 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: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -40.863670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.863670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.863670 (E_RNA) where: Base-Base interactions energy: -14.690 where: short stacking energy: -10.804 Base-Backbone interact. energy: -0.716 local terms energy: -25.457727 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -4.171 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: 2, replica: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -42.498589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.498589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.498589 (E_RNA) where: Base-Base interactions energy: -14.691 where: short stacking energy: -14.691 Base-Backbone interact. energy: -0.004 local terms energy: -27.804121 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -5.393 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: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -41.445454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.445454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.445454 (E_RNA) where: Base-Base interactions energy: -12.607 where: short stacking energy: -12.607 Base-Backbone interact. energy: -0.000 local terms energy: -28.838292 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -39.001120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.001120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.001120 (E_RNA) where: Base-Base interactions energy: -11.163 where: short stacking energy: -11.163 Base-Backbone interact. energy: -0.000 local terms energy: -27.837765 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -30.965997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.965997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.965997 (E_RNA) where: Base-Base interactions energy: -8.275 where: short stacking energy: -8.275 Base-Backbone interact. energy: -0.015 local terms energy: -22.676098 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: 1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -27.436080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.436080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.436080 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -6.296 Base-Backbone interact. energy: -1.059 local terms energy: -19.065880 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: 2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -29.880780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.880780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.880780 (E_RNA) where: Base-Base interactions energy: -5.689 where: short stacking energy: -5.689 Base-Backbone interact. energy: -0.001 local terms energy: -24.190392 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -4.711 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: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -29.409047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.409047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.409047 (E_RNA) where: Base-Base interactions energy: -6.078 where: short stacking energy: -6.078 Base-Backbone interact. energy: -0.002 local terms energy: -23.329097 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -4.950 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: 9, replica: 6 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -29.422504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.422504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.422504 (E_RNA) where: Base-Base interactions energy: -7.779 where: short stacking energy: -7.779 Base-Backbone interact. energy: -0.094 local terms energy: -21.549545 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -4.065 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: 10, replica: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -30.300405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.300405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.300405 (E_RNA) where: Base-Base interactions energy: -7.984 where: short stacking energy: -7.984 Base-Backbone interact. energy: -0.001 local terms energy: -22.315135 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -41.547332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.547332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.547332 (E_RNA) where: Base-Base interactions energy: -12.760 where: short stacking energy: -12.760 Base-Backbone interact. energy: -0.005 local terms energy: -28.782430 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -4.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -37.215340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.215340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.215340 (E_RNA) where: Base-Base interactions energy: -13.561 where: short stacking energy: -13.561 Base-Backbone interact. energy: 0.008 local terms energy: -23.662550 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -5.294 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: 3, replica: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -35.201203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.201203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.201203 (E_RNA) where: Base-Base interactions energy: -10.063 where: short stacking energy: -10.063 Base-Backbone interact. energy: -0.001 local terms energy: -25.136867 where: bonds (distance) C4'-P energy: -5.231 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -5.194 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: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -33.976200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.976200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.976200 (E_RNA) where: Base-Base interactions energy: -7.530 where: short stacking energy: -7.530 Base-Backbone interact. energy: -0.000 local terms energy: -26.446063 where: bonds (distance) C4'-P energy: -6.704 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -35.516951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.516951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.516951 (E_RNA) where: Base-Base interactions energy: -12.373 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.021 local terms energy: -23.122593 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: 0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -36.143876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.143876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.143876 (E_RNA) where: Base-Base interactions energy: -10.989 where: short stacking energy: -10.989 Base-Backbone interact. energy: -0.039 local terms energy: -25.115910 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -3.681 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -5.444 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: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -29.471916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.471916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.471916 (E_RNA) where: Base-Base interactions energy: -8.541 where: short stacking energy: -8.541 Base-Backbone interact. energy: -0.268 local terms energy: -20.662260 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -2.057 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: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -33.402227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.402227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.402227 (E_RNA) where: Base-Base interactions energy: -10.702 where: short stacking energy: -10.702 Base-Backbone interact. energy: -0.000 local terms energy: -22.700044 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -1.198 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: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -31.900725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.900725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.900725 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -5.656 Base-Backbone interact. energy: -0.001 local terms energy: -26.243613 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -31.109870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.109870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.109870 (E_RNA) where: Base-Base interactions energy: -9.418 where: short stacking energy: -9.418 Base-Backbone interact. energy: -0.076 local terms energy: -21.616372 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -1.203 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: 179 Temperature: 0.900000 Total energy: -42.279237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.279237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.279237 (E_RNA) where: Base-Base interactions energy: -14.738 where: short stacking energy: -14.738 Base-Backbone interact. energy: -0.001 local terms energy: -27.541041 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -35.375449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.375449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.375449 (E_RNA) where: Base-Base interactions energy: -7.640 where: short stacking energy: -7.640 Base-Backbone interact. energy: -0.000 local terms energy: -27.735003 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -36.013231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.013231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.013231 (E_RNA) where: Base-Base interactions energy: -9.709 where: short stacking energy: -9.709 Base-Backbone interact. energy: -0.047 local terms energy: -26.256767 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -34.450386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.450386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.450386 (E_RNA) where: Base-Base interactions energy: -10.906 where: short stacking energy: -10.906 Base-Backbone interact. energy: -0.009 local terms energy: -23.535151 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -4.030 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: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -40.970074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.970074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.970074 (E_RNA) where: Base-Base interactions energy: -13.271 where: short stacking energy: -12.742 Base-Backbone interact. energy: -0.086 local terms energy: -27.612889 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -5.060 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: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -31.951685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.951685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.951685 (E_RNA) where: Base-Base interactions energy: -11.863 where: short stacking energy: -11.863 Base-Backbone interact. energy: 0.744 local terms energy: -20.832380 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -3.834 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: 7, replica: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -30.913930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.913930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.913930 (E_RNA) where: Base-Base interactions energy: -5.681 where: short stacking energy: -5.681 Base-Backbone interact. energy: -0.079 local terms energy: -25.153612 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -30.474562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.474562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.474562 (E_RNA) where: Base-Base interactions energy: -7.138 where: short stacking energy: -7.138 Base-Backbone interact. energy: -0.028 local terms energy: -23.309081 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.197 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: 0.391 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: 4 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -30.752068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.752068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.752068 (E_RNA) where: Base-Base interactions energy: -5.976 where: short stacking energy: -5.976 Base-Backbone interact. energy: -0.017 local terms energy: -24.759270 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -30.924953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.924953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.924953 (E_RNA) where: Base-Base interactions energy: -5.365 where: short stacking energy: -5.365 Base-Backbone interact. energy: -0.232 local terms energy: -25.327556 where: bonds (distance) C4'-P energy: -4.200 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -36.575086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.575086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.575086 (E_RNA) where: Base-Base interactions energy: -9.750 where: short stacking energy: -9.750 Base-Backbone interact. energy: -0.088 local terms energy: -26.737080 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -0.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -32.932944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.932944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.932944 (E_RNA) where: Base-Base interactions energy: -8.749 where: short stacking energy: -8.749 Base-Backbone interact. energy: -0.082 local terms energy: -24.101793 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -2.735 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: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -38.350871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.350871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.350871 (E_RNA) where: Base-Base interactions energy: -12.681 where: short stacking energy: -12.681 Base-Backbone interact. energy: -0.040 local terms energy: -25.629362 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -4.394 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: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -36.395798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.395798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.395798 (E_RNA) where: Base-Base interactions energy: -9.577 where: short stacking energy: -9.577 Base-Backbone interact. energy: -0.085 local terms energy: -26.733021 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -4.407 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: 5, replica: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -35.747252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.747252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.747252 (E_RNA) where: Base-Base interactions energy: -11.498 where: short stacking energy: -11.498 Base-Backbone interact. energy: -0.000 local terms energy: -24.248681 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -29.415718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.415718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.415718 (E_RNA) where: Base-Base interactions energy: -6.468 where: short stacking energy: -6.468 Base-Backbone interact. energy: -0.125 local terms energy: -22.823517 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -1.714 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: 7, replica: 5 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -28.754424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.754424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.754424 (E_RNA) where: Base-Base interactions energy: -6.882 where: short stacking energy: -6.882 Base-Backbone interact. energy: -0.072 local terms energy: -21.800481 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -4.298 flat angles P-C4'-P energy: -5.460 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: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -33.379118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.379118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.379118 (E_RNA) where: Base-Base interactions energy: -7.760 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.002 local terms energy: -25.616965 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -5.060 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: 9, replica: 4 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -28.801862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.801862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.801862 (E_RNA) where: Base-Base interactions energy: -7.007 where: short stacking energy: -7.007 Base-Backbone interact. energy: -0.189 local terms energy: -21.606316 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: 2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -28.097341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.097341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.097341 (E_RNA) where: Base-Base interactions energy: -6.583 where: short stacking energy: -6.583 Base-Backbone interact. energy: -0.000 local terms energy: -21.513948 where: bonds (distance) C4'-P energy: -4.432 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -2.900 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: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -39.017636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.017636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.017636 (E_RNA) where: Base-Base interactions energy: -11.250 where: short stacking energy: -11.250 Base-Backbone interact. energy: -0.038 local terms energy: -27.728991 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -2.604 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: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -43.096431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.096431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.096431 (E_RNA) where: Base-Base interactions energy: -13.827 where: short stacking energy: -13.827 Base-Backbone interact. energy: -0.041 local terms energy: -29.228343 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -35.979638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.979638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.979638 (E_RNA) where: Base-Base interactions energy: -9.827 where: short stacking energy: -6.419 Base-Backbone interact. energy: 0.187 local terms energy: -26.339685 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -5.555 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: 4, replica: 2 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -38.480229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.480229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.480229 (E_RNA) where: Base-Base interactions energy: -10.970 where: short stacking energy: -10.970 Base-Backbone interact. energy: -0.071 local terms energy: -27.438970 where: bonds (distance) C4'-P energy: -6.688 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -5.450 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: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -35.312581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.312581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.312581 (E_RNA) where: Base-Base interactions energy: -7.078 where: short stacking energy: -7.078 Base-Backbone interact. energy: -0.001 local terms energy: -28.233583 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -30.922541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.922541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.922541 (E_RNA) where: Base-Base interactions energy: -7.797 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.002 local terms energy: -23.124164 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -29.080191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.080191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.080191 (E_RNA) where: Base-Base interactions energy: -7.329 where: short stacking energy: -7.329 Base-Backbone interact. energy: -0.029 local terms energy: -21.722037 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -4.095 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: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -35.495262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.495262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.495262 (E_RNA) where: Base-Base interactions energy: -7.691 where: short stacking energy: -7.691 Base-Backbone interact. energy: -0.000 local terms energy: -27.804010 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -5.026 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: 9, replica: 4 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -26.855341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.855341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.855341 (E_RNA) where: Base-Base interactions energy: -3.652 where: short stacking energy: -3.852 Base-Backbone interact. energy: -0.091 local terms energy: -23.112939 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -27.090231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.090231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.090231 (E_RNA) where: Base-Base interactions energy: -6.005 where: short stacking energy: -6.005 Base-Backbone interact. energy: -0.002 local terms energy: -21.083223 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -3.013 flat angles P-C4'-P energy: -5.325 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: 1, replica: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -42.231866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.231866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.231866 (E_RNA) where: Base-Base interactions energy: -16.044 where: short stacking energy: -16.044 Base-Backbone interact. energy: -0.100 local terms energy: -26.087484 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.412 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: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -37.934640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.934640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.934640 (E_RNA) where: Base-Base interactions energy: -9.060 where: short stacking energy: -9.060 Base-Backbone interact. energy: -0.208 local terms energy: -28.666978 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -6.140 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: 3, replica: 2 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -35.042675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.042675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.042675 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.038 local terms energy: -28.445341 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -3.910 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: 4, replica: 10 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -33.014056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.014056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.014056 (E_RNA) where: Base-Base interactions energy: -9.669 where: short stacking energy: -9.669 Base-Backbone interact. energy: -0.177 local terms energy: -23.168388 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -4.499 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: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -33.396890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.396890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.396890 (E_RNA) where: Base-Base interactions energy: -11.052 where: short stacking energy: -11.052 Base-Backbone interact. energy: -0.000 local terms energy: -22.345154 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -3.484 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: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -31.652011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.652011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.652011 (E_RNA) where: Base-Base interactions energy: -7.912 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.105 local terms energy: -23.634705 where: bonds (distance) C4'-P energy: -4.543 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -4.075 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: 7, replica: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -30.509867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.509867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.509867 (E_RNA) where: Base-Base interactions energy: -7.253 where: short stacking energy: -7.253 Base-Backbone interact. energy: -0.039 local terms energy: -23.217516 where: bonds (distance) C4'-P energy: -5.239 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -0.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -28.804420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.804420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.804420 (E_RNA) where: Base-Base interactions energy: -3.170 where: short stacking energy: -1.264 Base-Backbone interact. energy: -0.120 local terms energy: -25.513916 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.454 flat angles C4'-P-C4' energy: -2.420 flat angles P-C4'-P energy: -5.583 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -28.452473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.452473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.452473 (E_RNA) where: Base-Base interactions energy: -6.565 where: short stacking energy: -6.565 Base-Backbone interact. energy: -0.175 local terms energy: -21.712577 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -3.072 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: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -33.733573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.733573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.733573 (E_RNA) where: Base-Base interactions energy: -10.406 where: short stacking energy: -10.406 Base-Backbone interact. energy: -0.100 local terms energy: -23.227586 where: bonds (distance) C4'-P energy: -4.286 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -36.023607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.023607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.023607 (E_RNA) where: Base-Base interactions energy: -13.069 where: short stacking energy: -13.069 Base-Backbone interact. energy: -0.103 local terms energy: -22.851089 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.509 flat angles P-C4'-P energy: -4.298 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: 2, replica: 2 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -33.744947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.744947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.744947 (E_RNA) where: Base-Base interactions energy: -7.173 where: short stacking energy: -7.173 Base-Backbone interact. energy: -0.039 local terms energy: -26.533425 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -2.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -36.660574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.660574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.660574 (E_RNA) where: Base-Base interactions energy: -10.271 where: short stacking energy: -10.271 Base-Backbone interact. energy: -0.012 local terms energy: -26.377964 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -41.145253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.145253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.145253 (E_RNA) where: Base-Base interactions energy: -14.499 where: short stacking energy: -14.499 Base-Backbone interact. energy: -0.004 local terms energy: -26.642871 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -5.340 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: 10 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -33.417342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.417342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.417342 (E_RNA) where: Base-Base interactions energy: -7.915 where: short stacking energy: -7.915 Base-Backbone interact. energy: -0.003 local terms energy: -25.499831 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -4.490 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: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -34.373804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.373804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.373804 (E_RNA) where: Base-Base interactions energy: -11.748 where: short stacking energy: -11.463 Base-Backbone interact. energy: -0.003 local terms energy: -22.623345 where: bonds (distance) C4'-P energy: -4.366 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -2.970 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: 7, replica: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -35.248224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.248224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.248224 (E_RNA) where: Base-Base interactions energy: -11.371 where: short stacking energy: -11.371 Base-Backbone interact. energy: -0.000 local terms energy: -23.876721 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -3.196 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: 8, replica: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -31.664757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.664757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.664757 (E_RNA) where: Base-Base interactions energy: -6.697 where: short stacking energy: -6.697 Base-Backbone interact. energy: -0.020 local terms energy: -24.947337 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -3.695 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: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -30.704386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.704386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.704386 (E_RNA) where: Base-Base interactions energy: -8.786 where: short stacking energy: -8.786 Base-Backbone interact. energy: -0.100 local terms energy: -21.818714 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -3.865 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: 10, replica: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -27.795098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.795098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.795098 (E_RNA) where: Base-Base interactions energy: -4.230 where: short stacking energy: -4.230 Base-Backbone interact. energy: -0.974 local terms energy: -22.590476 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -0.859 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: 1, replica: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -39.420349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.420349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.420349 (E_RNA) where: Base-Base interactions energy: -15.286 where: short stacking energy: -15.286 Base-Backbone interact. energy: -0.017 local terms energy: -24.117152 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -41.448178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.448178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.448178 (E_RNA) where: Base-Base interactions energy: -11.799 where: short stacking energy: -11.799 Base-Backbone interact. energy: -0.002 local terms energy: -29.646742 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -36.886547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.886547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.886547 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.034 local terms energy: -29.273006 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -30.728418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.728418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.728418 (E_RNA) where: Base-Base interactions energy: -12.019 where: short stacking energy: -11.082 Base-Backbone interact. energy: -0.053 local terms energy: -18.656104 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -2.568 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: 5, replica: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -35.273389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.273389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.273389 (E_RNA) where: Base-Base interactions energy: -11.367 where: short stacking energy: -11.367 Base-Backbone interact. energy: 0.007 local terms energy: -23.913270 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: 0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -34.032203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.032203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.032203 (E_RNA) where: Base-Base interactions energy: -9.632 where: short stacking energy: -9.632 Base-Backbone interact. energy: -0.000 local terms energy: -24.400262 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -3.773 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: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -31.577049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.577049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.577049 (E_RNA) where: Base-Base interactions energy: -8.700 where: short stacking energy: -7.363 Base-Backbone interact. energy: -0.027 local terms energy: -22.850913 where: bonds (distance) C4'-P energy: -3.410 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -2.233 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: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -30.510573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.510573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.510573 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.057 local terms energy: -20.513242 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -2.275 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: 9, replica: 4 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -29.951149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.951149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.951149 (E_RNA) where: Base-Base interactions energy: -4.545 where: short stacking energy: -4.545 Base-Backbone interact. energy: -0.055 local terms energy: -25.351042 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -3.715 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: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -30.245414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.245414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.245414 (E_RNA) where: Base-Base interactions energy: -8.900 where: short stacking energy: -8.900 Base-Backbone interact. energy: -0.217 local terms energy: -21.129191 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.028 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -1.710 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: 1, replica: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -36.920993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.920993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.920993 (E_RNA) where: Base-Base interactions energy: -9.939 where: short stacking energy: -9.939 Base-Backbone interact. energy: -0.096 local terms energy: -26.886183 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -38.560446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.560446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.560446 (E_RNA) where: Base-Base interactions energy: -13.217 where: short stacking energy: -13.217 Base-Backbone interact. energy: -0.004 local terms energy: -25.339119 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -39.189096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.189096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.189096 (E_RNA) where: Base-Base interactions energy: -12.369 where: short stacking energy: -12.369 Base-Backbone interact. energy: -0.013 local terms energy: -26.807035 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -4.796 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: 10 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -34.786245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.786245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.786245 (E_RNA) where: Base-Base interactions energy: -6.425 where: short stacking energy: -6.471 Base-Backbone interact. energy: -0.006 local terms energy: -28.355152 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -4.795 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: 1 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -33.170325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.170325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.170325 (E_RNA) where: Base-Base interactions energy: -7.771 where: short stacking energy: -7.771 Base-Backbone interact. energy: -0.057 local terms energy: -25.343277 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -5.323 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: 185 Temperature: 1.150000 Total energy: -31.282958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.282958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.282958 (E_RNA) where: Base-Base interactions energy: -5.853 where: short stacking energy: -5.853 Base-Backbone interact. energy: -0.095 local terms energy: -25.334271 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -5.315 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: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -28.898940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.898940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.898940 (E_RNA) where: Base-Base interactions energy: -6.360 where: short stacking energy: -6.360 Base-Backbone interact. energy: -0.012 local terms energy: -22.526903 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -4.151 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: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -32.680547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.680547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.680547 (E_RNA) where: Base-Base interactions energy: -6.636 where: short stacking energy: -6.636 Base-Backbone interact. energy: -0.002 local terms energy: -26.042581 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -32.459564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.459564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.459564 (E_RNA) where: Base-Base interactions energy: -6.465 where: short stacking energy: -6.465 Base-Backbone interact. energy: -0.001 local terms energy: -25.993508 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -5.875 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: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -27.561552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.561552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.561552 (E_RNA) where: Base-Base interactions energy: -7.317 where: short stacking energy: -6.799 Base-Backbone interact. energy: -0.238 local terms energy: -20.006346 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.863 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: 1, replica: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -40.111921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.111921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.111921 (E_RNA) where: Base-Base interactions energy: -15.856 where: short stacking energy: -15.856 Base-Backbone interact. energy: -0.036 local terms energy: -24.219157 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -38.656734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.656734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.656734 (E_RNA) where: Base-Base interactions energy: -11.231 where: short stacking energy: -10.832 Base-Backbone interact. energy: -0.060 local terms energy: -27.365729 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -37.253873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.253873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.253873 (E_RNA) where: Base-Base interactions energy: -11.166 where: short stacking energy: -11.166 Base-Backbone interact. energy: -0.000 local terms energy: -26.087618 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -5.223 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -5.831 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: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -31.935866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.935866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.935866 (E_RNA) where: Base-Base interactions energy: -7.420 where: short stacking energy: -7.420 Base-Backbone interact. energy: -0.077 local terms energy: -24.439172 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -4.174 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: 5, replica: 7 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -35.451486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.451486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.451486 (E_RNA) where: Base-Base interactions energy: -10.534 where: short stacking energy: -10.534 Base-Backbone interact. energy: -0.180 local terms energy: -24.737021 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -30.788368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.788368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.788368 (E_RNA) where: Base-Base interactions energy: -8.621 where: short stacking energy: -8.621 Base-Backbone interact. energy: -0.000 local terms energy: -22.167354 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: 0.888 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: 186 Temperature: 1.200000 Total energy: -33.638062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.638062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.638062 (E_RNA) where: Base-Base interactions energy: -5.218 where: short stacking energy: -5.218 Base-Backbone interact. energy: -0.000 local terms energy: -28.420019 where: bonds (distance) C4'-P energy: -5.843 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -3.491 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: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -33.315418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.315418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.315418 (E_RNA) where: Base-Base interactions energy: -6.442 where: short stacking energy: -6.442 Base-Backbone interact. energy: -0.037 local terms energy: -26.836146 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.439 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -4.094 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: 9, replica: 8 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -26.632716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.632716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.632716 (E_RNA) where: Base-Base interactions energy: -3.565 where: short stacking energy: -3.565 Base-Backbone interact. energy: -0.001 local terms energy: -23.066430 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: 0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -30.905760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.905760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.905760 (E_RNA) where: Base-Base interactions energy: -6.608 where: short stacking energy: -6.322 Base-Backbone interact. energy: -0.092 local terms energy: -24.204993 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -3.733 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: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -39.999387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.999387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.999387 (E_RNA) where: Base-Base interactions energy: -12.270 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.881 local terms energy: -26.847580 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -4.283 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: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -36.499290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.499290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.499290 (E_RNA) where: Base-Base interactions energy: -10.286 where: short stacking energy: -10.286 Base-Backbone interact. energy: 0.553 local terms energy: -26.765490 where: bonds (distance) C4'-P energy: -5.421 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -2.461 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: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -31.580144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.580144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.580144 (E_RNA) where: Base-Base interactions energy: -5.291 where: short stacking energy: -5.291 Base-Backbone interact. energy: -0.003 local terms energy: -26.285963 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -3.536 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: 4, replica: 7 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -31.834031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.834031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.834031 (E_RNA) where: Base-Base interactions energy: -11.667 where: short stacking energy: -11.667 Base-Backbone interact. energy: -0.000 local terms energy: -20.167154 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -3.482 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: 5, replica: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -34.885407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.885407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.885407 (E_RNA) where: Base-Base interactions energy: -10.070 where: short stacking energy: -10.070 Base-Backbone interact. energy: -0.062 local terms energy: -24.753413 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -32.338730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.338730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.338730 (E_RNA) where: Base-Base interactions energy: -8.323 where: short stacking energy: -8.323 Base-Backbone interact. energy: -0.000 local terms energy: -24.016007 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -3.805 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: 7, replica: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -34.942758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.942758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.942758 (E_RNA) where: Base-Base interactions energy: -8.924 where: short stacking energy: -8.924 Base-Backbone interact. energy: -0.006 local terms energy: -26.012765 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -4.846 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: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -28.369495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.369495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.369495 (E_RNA) where: Base-Base interactions energy: -4.352 where: short stacking energy: -4.352 Base-Backbone interact. energy: -0.237 local terms energy: -23.780938 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -29.994770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.994770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.994770 (E_RNA) where: Base-Base interactions energy: -4.851 where: short stacking energy: -4.851 Base-Backbone interact. energy: -0.157 local terms energy: -24.987248 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -5.110 flat angles P-C4'-P energy: -5.145 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: 10, replica: 3 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -25.967033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.967033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.967033 (E_RNA) where: Base-Base interactions energy: -5.642 where: short stacking energy: -5.642 Base-Backbone interact. energy: -0.001 local terms energy: -20.324165 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -2.242 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: 0.365 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: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -38.246640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.246640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.246640 (E_RNA) where: Base-Base interactions energy: -11.152 where: short stacking energy: -11.393 Base-Backbone interact. energy: -0.076 local terms energy: -27.018569 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -4.286 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: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -34.995063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.995063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.995063 (E_RNA) where: Base-Base interactions energy: -10.000 where: short stacking energy: -10.000 Base-Backbone interact. energy: -0.002 local terms energy: -24.993417 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -33.459254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.459254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.459254 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.158 local terms energy: -25.627928 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -2.174 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -39.447156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.447156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.447156 (E_RNA) where: Base-Base interactions energy: -11.925 where: short stacking energy: -11.925 Base-Backbone interact. energy: -0.055 local terms energy: -27.467482 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -41.590950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.590950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.590950 (E_RNA) where: Base-Base interactions energy: -13.649 where: short stacking energy: -13.649 Base-Backbone interact. energy: -0.044 local terms energy: -27.897954 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -4.206 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: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -31.832346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.832346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.832346 (E_RNA) where: Base-Base interactions energy: -8.136 where: short stacking energy: -8.136 Base-Backbone interact. energy: -0.000 local terms energy: -23.696489 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -3.477 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -31.570326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.570326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.570326 (E_RNA) where: Base-Base interactions energy: -6.793 where: short stacking energy: -6.793 Base-Backbone interact. energy: -0.001 local terms energy: -24.776506 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -4.540 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: 8, replica: 1 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -33.127974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.127974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.127974 (E_RNA) where: Base-Base interactions energy: -7.798 where: short stacking energy: -7.798 Base-Backbone interact. energy: -0.001 local terms energy: -25.329322 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -0.725 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: 9, replica: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -29.746682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.746682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.746682 (E_RNA) where: Base-Base interactions energy: -9.915 where: short stacking energy: -9.915 Base-Backbone interact. energy: -1.274 local terms energy: -18.557685 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -2.303 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: -1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -31.417710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.417710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.417710 (E_RNA) where: Base-Base interactions energy: -10.299 where: short stacking energy: -10.299 Base-Backbone interact. energy: -1.087 local terms energy: -20.032407 where: bonds (distance) C4'-P energy: -5.534 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -3.322 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: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -35.037221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.037221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.037221 (E_RNA) where: Base-Base interactions energy: -11.118 where: short stacking energy: -11.118 Base-Backbone interact. energy: -0.039 local terms energy: -23.880644 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -2.180 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: 2, replica: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -34.265591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.265591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.265591 (E_RNA) where: Base-Base interactions energy: -10.567 where: short stacking energy: -10.567 Base-Backbone interact. energy: -0.095 local terms energy: -23.603126 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -41.627034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.627034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.627034 (E_RNA) where: Base-Base interactions energy: -14.600 where: short stacking energy: -14.600 Base-Backbone interact. energy: -0.001 local terms energy: -27.025817 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -6.488 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -35.408766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.408766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.408766 (E_RNA) where: Base-Base interactions energy: -10.141 where: short stacking energy: -10.141 Base-Backbone interact. energy: -0.034 local terms energy: -25.233188 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -2.536 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: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -35.168231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.168231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.168231 (E_RNA) where: Base-Base interactions energy: -9.684 where: short stacking energy: -9.684 Base-Backbone interact. energy: -0.787 local terms energy: -24.697562 where: bonds (distance) C4'-P energy: -5.077 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -2.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -31.929628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.929628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.929628 (E_RNA) where: Base-Base interactions energy: -13.034 where: short stacking energy: -13.085 Base-Backbone interact. energy: -0.004 local terms energy: -18.891655 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.485 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: 7, replica: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -34.599366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.599366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.599366 (E_RNA) where: Base-Base interactions energy: -8.883 where: short stacking energy: -8.883 Base-Backbone interact. energy: -0.000 local terms energy: -25.716164 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -35.027263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.027263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.027263 (E_RNA) where: Base-Base interactions energy: -6.038 where: short stacking energy: -6.038 Base-Backbone interact. energy: -0.000 local terms energy: -28.988750 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -4.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -31.613917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613917 (E_RNA) where: Base-Base interactions energy: -5.036 where: short stacking energy: -5.036 Base-Backbone interact. energy: -0.002 local terms energy: -26.576539 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -4.759 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: 10, replica: 6 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -26.643876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.643876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.643876 (E_RNA) where: Base-Base interactions energy: -3.992 where: short stacking energy: -3.992 Base-Backbone interact. energy: -0.020 local terms energy: -22.631838 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -5.088 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: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -39.504284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.504284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.504284 (E_RNA) where: Base-Base interactions energy: -10.974 where: short stacking energy: -10.974 Base-Backbone interact. energy: -0.000 local terms energy: -28.530096 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -39.780890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.780890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.780890 (E_RNA) where: Base-Base interactions energy: -11.854 where: short stacking energy: -11.854 Base-Backbone interact. energy: -0.000 local terms energy: -27.926919 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -38.162086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.162086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.162086 (E_RNA) where: Base-Base interactions energy: -14.784 where: short stacking energy: -14.784 Base-Backbone interact. energy: -0.075 local terms energy: -23.303663 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -4.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -40.466058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.466058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.466058 (E_RNA) where: Base-Base interactions energy: -15.480 where: short stacking energy: -15.480 Base-Backbone interact. energy: -0.000 local terms energy: -24.985699 where: bonds (distance) C4'-P energy: -4.771 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -3.743 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: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -32.109106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.109106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.109106 (E_RNA) where: Base-Base interactions energy: -8.416 where: short stacking energy: -8.416 Base-Backbone interact. energy: -0.020 local terms energy: -23.673576 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -2.388 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: 6, replica: 5 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -28.377986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.377986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.377986 (E_RNA) where: Base-Base interactions energy: -4.591 where: short stacking energy: -4.591 Base-Backbone interact. energy: -0.999 local terms energy: -22.787841 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -5.097 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: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -32.331661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.331661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.331661 (E_RNA) where: Base-Base interactions energy: -10.757 where: short stacking energy: -10.757 Base-Backbone interact. energy: -0.001 local terms energy: -21.573041 where: bonds (distance) C4'-P energy: -2.619 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -4.955 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: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -30.792589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.792589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.792589 (E_RNA) where: Base-Base interactions energy: -7.110 where: short stacking energy: -7.110 Base-Backbone interact. energy: -0.000 local terms energy: -23.682420 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -32.510050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.510050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.510050 (E_RNA) where: Base-Base interactions energy: -7.992 where: short stacking energy: -7.992 Base-Backbone interact. energy: -0.085 local terms energy: -24.433412 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -29.473252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.473252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.473252 (E_RNA) where: Base-Base interactions energy: -3.726 where: short stacking energy: -3.726 Base-Backbone interact. energy: -0.041 local terms energy: -25.706172 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -0.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -39.149158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.149158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.149158 (E_RNA) where: Base-Base interactions energy: -9.554 where: short stacking energy: -9.554 Base-Backbone interact. energy: -0.004 local terms energy: -29.590669 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -40.670218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.670218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.670218 (E_RNA) where: Base-Base interactions energy: -11.240 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.000 local terms energy: -29.430026 where: bonds (distance) C4'-P energy: -4.528 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -6.236 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -33.775378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.775378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.775378 (E_RNA) where: Base-Base interactions energy: -12.942 where: short stacking energy: -11.435 Base-Backbone interact. energy: -0.681 local terms energy: -20.152355 where: bonds (distance) C4'-P energy: -3.331 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -2.547 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: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -33.695696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.695696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.695696 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -6.740 Base-Backbone interact. energy: -0.021 local terms energy: -24.585440 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -5.196 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: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -32.765911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.765911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.765911 (E_RNA) where: Base-Base interactions energy: -9.086 where: short stacking energy: -9.086 Base-Backbone interact. energy: -0.001 local terms energy: -23.679242 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -2.661 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: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -34.884335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.884335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.884335 (E_RNA) where: Base-Base interactions energy: -11.474 where: short stacking energy: -11.474 Base-Backbone interact. energy: -0.046 local terms energy: -23.364698 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -3.425 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: 7, replica: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -30.281419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.281419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.281419 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.016 local terms energy: -19.432124 where: bonds (distance) C4'-P energy: -2.750 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -32.021274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.021274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.021274 (E_RNA) where: Base-Base interactions energy: -8.350 where: short stacking energy: -8.350 Base-Backbone interact. energy: -0.001 local terms energy: -23.669668 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -2.170 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: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -34.213198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.213198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.213198 (E_RNA) where: Base-Base interactions energy: -8.418 where: short stacking energy: -8.418 Base-Backbone interact. energy: -0.009 local terms energy: -25.786676 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -5.029 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: 10, replica: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -32.579164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.579164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.579164 (E_RNA) where: Base-Base interactions energy: -11.334 where: short stacking energy: -11.334 Base-Backbone interact. energy: -0.076 local terms energy: -21.169792 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -4.260 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: 1, replica: 9 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -36.563874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.563874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.563874 (E_RNA) where: Base-Base interactions energy: -15.023 where: short stacking energy: -15.023 Base-Backbone interact. energy: -0.003 local terms energy: -21.537873 where: bonds (distance) C4'-P energy: -2.727 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.085 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: 2, replica: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -35.779798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.779798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.779798 (E_RNA) where: Base-Base interactions energy: -14.257 where: short stacking energy: -14.257 Base-Backbone interact. energy: 0.536 local terms energy: -22.058636 where: bonds (distance) C4'-P energy: -3.621 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -4.378 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: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -35.765884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.765884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.765884 (E_RNA) where: Base-Base interactions energy: -10.900 where: short stacking energy: -10.900 Base-Backbone interact. energy: -0.009 local terms energy: -24.856869 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -5.204 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: 4, replica: 10 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -34.078883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.078883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.078883 (E_RNA) where: Base-Base interactions energy: -6.040 where: short stacking energy: -6.040 Base-Backbone interact. energy: -0.000 local terms energy: -28.038454 where: bonds (distance) C4'-P energy: -5.749 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -5.645 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: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -35.136628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.136628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.136628 (E_RNA) where: Base-Base interactions energy: -10.113 where: short stacking energy: -10.113 Base-Backbone interact. energy: -0.075 local terms energy: -24.949099 where: bonds (distance) C4'-P energy: -5.785 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -4.481 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: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -29.315166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.315166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.315166 (E_RNA) where: Base-Base interactions energy: -8.470 where: short stacking energy: -8.470 Base-Backbone interact. energy: -0.001 local terms energy: -20.844623 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.667 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: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -30.532672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.532672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.532672 (E_RNA) where: Base-Base interactions energy: -6.770 where: short stacking energy: -6.770 Base-Backbone interact. energy: -0.030 local terms energy: -23.732731 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -5.533 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: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -36.544360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.544360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.544360 (E_RNA) where: Base-Base interactions energy: -9.648 where: short stacking energy: -9.648 Base-Backbone interact. energy: -0.000 local terms energy: -26.896498 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -28.542914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.542914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.542914 (E_RNA) where: Base-Base interactions energy: -6.447 where: short stacking energy: -6.447 Base-Backbone interact. energy: -0.097 local terms energy: -21.998690 where: bonds (distance) C4'-P energy: -4.895 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -2.555 flat angles P-C4'-P energy: -4.932 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: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -31.472384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.472384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.472384 (E_RNA) where: Base-Base interactions energy: -9.668 where: short stacking energy: -9.668 Base-Backbone interact. energy: -0.087 local terms energy: -21.716750 where: bonds (distance) C4'-P energy: -4.767 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -2.882 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: 1, replica: 9 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -36.503670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.503670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.503670 (E_RNA) where: Base-Base interactions energy: -10.890 where: short stacking energy: -10.890 Base-Backbone interact. energy: -0.000 local terms energy: -25.614094 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -6.157 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: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -37.010916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.010916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.010916 (E_RNA) where: Base-Base interactions energy: -9.459 where: short stacking energy: -9.459 Base-Backbone interact. energy: -0.000 local terms energy: -27.551215 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -5.788 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: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -38.568273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.568273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.568273 (E_RNA) where: Base-Base interactions energy: -13.185 where: short stacking energy: -13.185 Base-Backbone interact. energy: -0.081 local terms energy: -25.302495 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -3.795 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: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -33.279676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.279676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.279676 (E_RNA) where: Base-Base interactions energy: -10.220 where: short stacking energy: -10.220 Base-Backbone interact. energy: -0.093 local terms energy: -22.966327 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.213 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -0.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -39.813937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.813937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.813937 (E_RNA) where: Base-Base interactions energy: -10.618 where: short stacking energy: -10.618 Base-Backbone interact. energy: -0.000 local terms energy: -29.195560 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -31.856335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.856335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.856335 (E_RNA) where: Base-Base interactions energy: -6.864 where: short stacking energy: -6.864 Base-Backbone interact. energy: -0.007 local terms energy: -24.985099 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -28.622371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.622371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.622371 (E_RNA) where: Base-Base interactions energy: -5.300 where: short stacking energy: -5.300 Base-Backbone interact. energy: -0.026 local terms energy: -23.296523 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.193 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: 8, replica: 1 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -27.671754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.671754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.671754 (E_RNA) where: Base-Base interactions energy: -5.036 where: short stacking energy: -5.036 Base-Backbone interact. energy: -0.006 local terms energy: -22.629339 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -1.681 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -28.535764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.535764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.535764 (E_RNA) where: Base-Base interactions energy: -7.016 where: short stacking energy: -7.016 Base-Backbone interact. energy: 0.104 local terms energy: -21.623696 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -3.334 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -1.537 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: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -32.192392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.192392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.192392 (E_RNA) where: Base-Base interactions energy: -6.498 where: short stacking energy: -6.498 Base-Backbone interact. energy: -0.000 local terms energy: -25.694441 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -38.638146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.638146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.638146 (E_RNA) where: Base-Base interactions energy: -11.194 where: short stacking energy: -11.194 Base-Backbone interact. energy: -0.165 local terms energy: -27.279686 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -4.441 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: 194 Temperature: 0.950000 Total energy: -44.269491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.269491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.269491 (E_RNA) where: Base-Base interactions energy: -16.451 where: short stacking energy: -16.451 Base-Backbone interact. energy: -0.000 local terms energy: -27.818521 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -5.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -31.769807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.769807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.769807 (E_RNA) where: Base-Base interactions energy: -10.197 where: short stacking energy: -9.907 Base-Backbone interact. energy: -0.042 local terms energy: -21.531415 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: 2.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -33.661757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.661757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.661757 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -9.089 Base-Backbone interact. energy: -0.457 local terms energy: -24.116215 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -35.151826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.151826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.151826 (E_RNA) where: Base-Base interactions energy: -11.034 where: short stacking energy: -11.034 Base-Backbone interact. energy: -0.068 local terms energy: -24.050339 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -5.637 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: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -32.375083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.375083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.375083 (E_RNA) where: Base-Base interactions energy: -7.719 where: short stacking energy: -7.719 Base-Backbone interact. energy: -0.000 local terms energy: -24.655793 where: bonds (distance) C4'-P energy: -4.121 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -30.621673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.621673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.621673 (E_RNA) where: Base-Base interactions energy: -9.644 where: short stacking energy: -9.644 Base-Backbone interact. energy: -0.000 local terms energy: -20.977767 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -3.682 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: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -31.828875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.828875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.828875 (E_RNA) where: Base-Base interactions energy: -8.150 where: short stacking energy: -8.850 Base-Backbone interact. energy: -0.126 local terms energy: -23.552989 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.103 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: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -33.071453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.071453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.071453 (E_RNA) where: Base-Base interactions energy: -13.402 where: short stacking energy: -13.402 Base-Backbone interact. energy: -0.001 local terms energy: -19.668671 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -2.371 flat angles P-C4'-P energy: 2.133 tors. eta vs tors. theta energy: -6.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -31.162099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.162099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.162099 (E_RNA) where: Base-Base interactions energy: -8.052 where: short stacking energy: -8.052 Base-Backbone interact. energy: -0.336 local terms energy: -22.774481 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -41.931720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.931720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.931720 (E_RNA) where: Base-Base interactions energy: -12.025 where: short stacking energy: -12.025 Base-Backbone interact. energy: -0.000 local terms energy: -29.906407 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -6.503 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: 195 Temperature: 0.950000 Total energy: -32.825178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.825178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.825178 (E_RNA) where: Base-Base interactions energy: -7.782 where: short stacking energy: -7.782 Base-Backbone interact. energy: -0.124 local terms energy: -24.918404 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -3.251 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: 3, replica: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -34.093502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.093502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.093502 (E_RNA) where: Base-Base interactions energy: -9.019 where: short stacking energy: -9.019 Base-Backbone interact. energy: -0.135 local terms energy: -24.939897 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -3.577 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: 4, replica: 7 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -34.354809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.354809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.354809 (E_RNA) where: Base-Base interactions energy: -9.663 where: short stacking energy: -9.663 Base-Backbone interact. energy: -0.054 local terms energy: -24.638526 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -34.979072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.979072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.979072 (E_RNA) where: Base-Base interactions energy: -10.107 where: short stacking energy: -10.107 Base-Backbone interact. energy: -0.000 local terms energy: -24.872227 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -31.237062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.237062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.237062 (E_RNA) where: Base-Base interactions energy: -8.281 where: short stacking energy: -8.281 Base-Backbone interact. energy: -0.629 local terms energy: -22.326441 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.269 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -4.126 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: 10 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -28.750380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.750380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.750380 (E_RNA) where: Base-Base interactions energy: -7.436 where: short stacking energy: -7.436 Base-Backbone interact. energy: -0.004 local terms energy: -21.310276 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -5.989 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -1.962 tors. eta vs tors. theta energy: -0.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -29.604013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.604013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.604013 (E_RNA) where: Base-Base interactions energy: -4.092 where: short stacking energy: -4.092 Base-Backbone interact. energy: -0.641 local terms energy: -24.871206 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -29.462820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.462820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.462820 (E_RNA) where: Base-Base interactions energy: -3.280 where: short stacking energy: -3.280 Base-Backbone interact. energy: -0.054 local terms energy: -26.128897 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -4.700 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: 10, replica: 3 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -26.214362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.214362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.214362 (E_RNA) where: Base-Base interactions energy: -5.716 where: short stacking energy: -5.716 Base-Backbone interact. energy: 0.905 local terms energy: -21.403617 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: 0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -40.698860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.698860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.698860 (E_RNA) where: Base-Base interactions energy: -15.537 where: short stacking energy: -15.537 Base-Backbone interact. energy: -0.009 local terms energy: -25.153198 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -2.487 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: 2, replica: 8 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -39.417544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.417544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.417544 (E_RNA) where: Base-Base interactions energy: -16.449 where: short stacking energy: -12.973 Base-Backbone interact. energy: -0.381 local terms energy: -22.587881 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -34.717957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.717957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.717957 (E_RNA) where: Base-Base interactions energy: -7.047 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.000 local terms energy: -27.671337 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -2.714 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: 4, replica: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -33.337377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.337377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.337377 (E_RNA) where: Base-Base interactions energy: -8.108 where: short stacking energy: -8.108 Base-Backbone interact. energy: -0.173 local terms energy: -25.056190 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -6.134 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: 5, replica: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -33.484437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.484437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.484437 (E_RNA) where: Base-Base interactions energy: -6.771 where: short stacking energy: -6.771 Base-Backbone interact. energy: -0.000 local terms energy: -26.713136 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -37.473352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.473352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.473352 (E_RNA) where: Base-Base interactions energy: -12.552 where: short stacking energy: -12.552 Base-Backbone interact. energy: -0.020 local terms energy: -24.901655 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -3.489 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: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -31.171056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.171056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.171056 (E_RNA) where: Base-Base interactions energy: -7.389 where: short stacking energy: -7.389 Base-Backbone interact. energy: -0.109 local terms energy: -23.673156 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -33.158178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.158178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.158178 (E_RNA) where: Base-Base interactions energy: -5.817 where: short stacking energy: -5.817 Base-Backbone interact. energy: -0.018 local terms energy: -27.323496 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -27.651398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.651398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.651398 (E_RNA) where: Base-Base interactions energy: -3.117 where: short stacking energy: -3.117 Base-Backbone interact. energy: -0.078 local terms energy: -24.456955 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.538 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: 10, replica: 6 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -29.705068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.705068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.705068 (E_RNA) where: Base-Base interactions energy: -8.712 where: short stacking energy: -8.712 Base-Backbone interact. energy: -0.000 local terms energy: -20.993029 where: bonds (distance) C4'-P energy: -2.947 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -33.034957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.034957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.034957 (E_RNA) where: Base-Base interactions energy: -9.597 where: short stacking energy: -9.597 Base-Backbone interact. energy: -0.206 local terms energy: -23.231960 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -3.316 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: 2, replica: 7 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -34.114474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.114474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.114474 (E_RNA) where: Base-Base interactions energy: -10.789 where: short stacking energy: -10.789 Base-Backbone interact. energy: -0.101 local terms energy: -23.224497 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -3.966 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: 3, replica: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -36.983934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.983934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.983934 (E_RNA) where: Base-Base interactions energy: -7.819 where: short stacking energy: -7.819 Base-Backbone interact. energy: -0.023 local terms energy: -29.141695 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.761 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -36.374135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.374135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.374135 (E_RNA) where: Base-Base interactions energy: -8.092 where: short stacking energy: -8.092 Base-Backbone interact. energy: -0.001 local terms energy: -28.281926 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -3.776 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: 5, replica: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -33.227363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.227363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.227363 (E_RNA) where: Base-Base interactions energy: -9.402 where: short stacking energy: -9.402 Base-Backbone interact. energy: -0.000 local terms energy: -23.824683 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -1.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -36.079575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.079575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.079575 (E_RNA) where: Base-Base interactions energy: -10.685 where: short stacking energy: -10.685 Base-Backbone interact. energy: -0.013 local terms energy: -25.381305 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -3.281 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: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -32.409342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.409342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.409342 (E_RNA) where: Base-Base interactions energy: -7.223 where: short stacking energy: -7.223 Base-Backbone interact. energy: -0.000 local terms energy: -25.186460 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -5.753 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -4.621 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: 8, replica: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -29.527681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.527681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.527681 (E_RNA) where: Base-Base interactions energy: -9.129 where: short stacking energy: -9.129 Base-Backbone interact. energy: -0.004 local terms energy: -20.394138 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: 0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -31.842555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.842555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.842555 (E_RNA) where: Base-Base interactions energy: -9.531 where: short stacking energy: -9.531 Base-Backbone interact. energy: 0.900 local terms energy: -23.212348 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -4.604 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: 6 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -30.218188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.218188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.218188 (E_RNA) where: Base-Base interactions energy: -5.692 where: short stacking energy: -5.692 Base-Backbone interact. energy: -0.076 local terms energy: -24.449489 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.565 flat angles P-C4'-P energy: -4.499 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: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -37.455643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.455643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.455643 (E_RNA) where: Base-Base interactions energy: -10.532 where: short stacking energy: -10.532 Base-Backbone interact. energy: -0.084 local terms energy: -26.839300 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -36.768880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.768880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.768880 (E_RNA) where: Base-Base interactions energy: -9.797 where: short stacking energy: -10.046 Base-Backbone interact. energy: -0.000 local terms energy: -26.971836 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -3.183 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: 198 Temperature: 1.000000 Total energy: -33.528831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.528831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.528831 (E_RNA) where: Base-Base interactions energy: -7.614 where: short stacking energy: -7.614 Base-Backbone interact. energy: -0.000 local terms energy: -25.914517 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -2.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -32.139146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.139146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.139146 (E_RNA) where: Base-Base interactions energy: -7.464 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.000 local terms energy: -24.675225 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -1.345 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: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -38.419478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.419478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.419478 (E_RNA) where: Base-Base interactions energy: -11.480 where: short stacking energy: -11.480 Base-Backbone interact. energy: -0.006 local terms energy: -26.933423 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -32.128893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.128893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.128893 (E_RNA) where: Base-Base interactions energy: -6.422 where: short stacking energy: -6.422 Base-Backbone interact. energy: -0.003 local terms energy: -25.703557 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -3.820 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: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -37.110558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.110558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.110558 (E_RNA) where: Base-Base interactions energy: -13.901 where: short stacking energy: -13.901 Base-Backbone interact. energy: -0.008 local terms energy: -23.201501 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -4.217 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: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -29.173794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.173794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.173794 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -6.867 Base-Backbone interact. energy: -1.255 local terms energy: -21.051956 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -32.484127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.484127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.484127 (E_RNA) where: Base-Base interactions energy: -9.448 where: short stacking energy: -9.640 Base-Backbone interact. energy: -0.010 local terms energy: -23.026102 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -5.013 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -3.843 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: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -29.184295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.184295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.184295 (E_RNA) where: Base-Base interactions energy: -6.529 where: short stacking energy: -6.529 Base-Backbone interact. energy: -0.131 local terms energy: -22.524027 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -38.478510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.478510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.478510 (E_RNA) where: Base-Base interactions energy: -13.384 where: short stacking energy: -13.384 Base-Backbone interact. energy: -0.001 local terms energy: -25.093571 where: bonds (distance) C4'-P energy: -4.593 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -3.094 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: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -38.170463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.170463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.170463 (E_RNA) where: Base-Base interactions energy: -12.030 where: short stacking energy: -12.030 Base-Backbone interact. energy: -0.000 local terms energy: -26.140465 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -3.912 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: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -35.301348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.301348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.301348 (E_RNA) where: Base-Base interactions energy: -7.763 where: short stacking energy: -7.763 Base-Backbone interact. energy: -0.073 local terms energy: -27.465294 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -2.683 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: 4, replica: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -41.936841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.936841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.936841 (E_RNA) where: Base-Base interactions energy: -14.765 where: short stacking energy: -14.765 Base-Backbone interact. energy: -0.001 local terms energy: -27.170700 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -33.305283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.305283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.305283 (E_RNA) where: Base-Base interactions energy: -10.400 where: short stacking energy: -10.400 Base-Backbone interact. energy: -0.000 local terms energy: -22.905385 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -3.006 flat angles P-C4'-P energy: -4.252 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: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -30.833785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.833785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.833785 (E_RNA) where: Base-Base interactions energy: -5.855 where: short stacking energy: -5.855 Base-Backbone interact. energy: -0.064 local terms energy: -24.914531 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -31.963632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.963632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.963632 (E_RNA) where: Base-Base interactions energy: -7.130 where: short stacking energy: -7.130 Base-Backbone interact. energy: -0.053 local terms energy: -24.780482 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -30.605911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.605911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.605911 (E_RNA) where: Base-Base interactions energy: -7.222 where: short stacking energy: -7.222 Base-Backbone interact. energy: -0.002 local terms energy: -23.381775 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.854 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: 9, replica: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -27.845405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.845405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.845405 (E_RNA) where: Base-Base interactions energy: -7.695 where: short stacking energy: -8.095 Base-Backbone interact. energy: -0.040 local terms energy: -20.111237 where: bonds (distance) C4'-P energy: -3.244 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -27.794859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.794859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.794859 (E_RNA) where: Base-Base interactions energy: -4.436 where: short stacking energy: -4.747 Base-Backbone interact. energy: -0.000 local terms energy: -23.358321 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: -0.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -44.571105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.571105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.571105 (E_RNA) where: Base-Base interactions energy: -14.143 where: short stacking energy: -14.143 Base-Backbone interact. energy: -0.000 local terms energy: -30.428221 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -6.860 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: 2, replica: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -37.498323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.498323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.498323 (E_RNA) where: Base-Base interactions energy: -10.409 where: short stacking energy: -10.409 Base-Backbone interact. energy: -0.000 local terms energy: -27.088979 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -37.064068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.064068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.064068 (E_RNA) where: Base-Base interactions energy: -8.834 where: short stacking energy: -8.834 Base-Backbone interact. energy: -0.002 local terms energy: -28.227790 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -38.729458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.729458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.729458 (E_RNA) where: Base-Base interactions energy: -12.585 where: short stacking energy: -12.585 Base-Backbone interact. energy: -0.158 local terms energy: -25.986601 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -34.540562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.540562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.540562 (E_RNA) where: Base-Base interactions energy: -13.438 where: short stacking energy: -13.438 Base-Backbone interact. energy: -0.000 local terms energy: -21.102193 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.017 flat angles P-C4'-P energy: -1.657 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: 6, replica: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -35.295872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.295872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.295872 (E_RNA) where: Base-Base interactions energy: -8.648 where: short stacking energy: -7.194 Base-Backbone interact. energy: -0.200 local terms energy: -26.447475 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -29.024024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.024024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.024024 (E_RNA) where: Base-Base interactions energy: -5.178 where: short stacking energy: -5.178 Base-Backbone interact. energy: -0.002 local terms energy: -23.844296 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -5.214 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: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -29.857099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.857099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.857099 (E_RNA) where: Base-Base interactions energy: -8.081 where: short stacking energy: -8.081 Base-Backbone interact. energy: -0.004 local terms energy: -21.772101 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -4.238 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: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -31.389569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.389569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.389569 (E_RNA) where: Base-Base interactions energy: -7.442 where: short stacking energy: -7.442 Base-Backbone interact. energy: -0.006 local terms energy: -23.941905 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.593 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: 10, replica: 2 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -30.166113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.166113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.166113 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.009 local terms energy: -22.211754 where: bonds (distance) C4'-P energy: -3.033 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -2.447 tors. eta vs tors. theta energy: -4.495 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: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -34.074157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.074157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.074157 (E_RNA) where: Base-Base interactions energy: -9.397 where: short stacking energy: -9.397 Base-Backbone interact. energy: -0.010 local terms energy: -24.666898 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -5.831 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: 2, replica: 7 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -38.977061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.977061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.977061 (E_RNA) where: Base-Base interactions energy: -13.847 where: short stacking energy: -13.847 Base-Backbone interact. energy: -0.000 local terms energy: -25.129649 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -2.231 tors. eta vs tors. theta energy: -4.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -35.754678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.754678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.754678 (E_RNA) where: Base-Base interactions energy: -8.299 where: short stacking energy: -8.299 Base-Backbone interact. energy: -0.003 local terms energy: -27.453242 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -4.071 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: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -33.515329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.515329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.515329 (E_RNA) where: Base-Base interactions energy: -9.139 where: short stacking energy: -9.139 Base-Backbone interact. energy: -0.108 local terms energy: -24.268509 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: -0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -35.942425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.942425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.942425 (E_RNA) where: Base-Base interactions energy: -11.984 where: short stacking energy: -11.984 Base-Backbone interact. energy: -0.037 local terms energy: -23.921324 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -35.126468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.126468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.126468 (E_RNA) where: Base-Base interactions energy: -11.566 where: short stacking energy: -11.566 Base-Backbone interact. energy: -0.003 local terms energy: -23.557627 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -39.178771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.178771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.178771 (E_RNA) where: Base-Base interactions energy: -14.063 where: short stacking energy: -14.063 Base-Backbone interact. energy: -0.000 local terms energy: -25.115686 where: bonds (distance) C4'-P energy: -4.556 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -5.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -28.338517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.338517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.338517 (E_RNA) where: Base-Base interactions energy: -6.152 where: short stacking energy: -6.152 Base-Backbone interact. energy: -0.173 local terms energy: -22.013429 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -4.617 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: 9, replica: 6 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -28.086216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.086216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.086216 (E_RNA) where: Base-Base interactions energy: -6.182 where: short stacking energy: -6.182 Base-Backbone interact. energy: -0.012 local terms energy: -21.891782 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -3.466 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: 10, replica: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -28.480894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.480894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.480894 (E_RNA) where: Base-Base interactions energy: -9.422 where: short stacking energy: -9.422 Base-Backbone interact. energy: -0.379 local terms energy: -18.680664 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -1.271 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: 1, replica: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -36.148174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.148174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.148174 (E_RNA) where: Base-Base interactions energy: -11.006 where: short stacking energy: -11.006 Base-Backbone interact. energy: -0.000 local terms energy: -25.141318 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -2.461 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: 202 Temperature: 0.950000 Total energy: -43.144475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.144475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.144475 (E_RNA) where: Base-Base interactions energy: -13.688 where: short stacking energy: -13.688 Base-Backbone interact. energy: -0.000 local terms energy: -29.456239 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -6.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -37.811386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.811386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.811386 (E_RNA) where: Base-Base interactions energy: -14.016 where: short stacking energy: -14.016 Base-Backbone interact. energy: -0.003 local terms energy: -23.792357 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -4.683 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: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -33.374521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.374521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.374521 (E_RNA) where: Base-Base interactions energy: -13.161 where: short stacking energy: -13.161 Base-Backbone interact. energy: -0.001 local terms energy: -20.212799 where: bonds (distance) C4'-P energy: -3.621 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -1.385 tors. eta vs tors. theta energy: -3.901 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: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -31.544754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.544754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.544754 (E_RNA) where: Base-Base interactions energy: -7.899 where: short stacking energy: -7.899 Base-Backbone interact. energy: 0.288 local terms energy: -23.933823 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -34.710326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.710326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.710326 (E_RNA) where: Base-Base interactions energy: -11.123 where: short stacking energy: -11.123 Base-Backbone interact. energy: -0.116 local terms energy: -23.471001 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -30.810394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.810394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.810394 (E_RNA) where: Base-Base interactions energy: -6.011 where: short stacking energy: -6.011 Base-Backbone interact. energy: -0.075 local terms energy: -24.724355 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.159 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: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -29.066775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.066775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.066775 (E_RNA) where: Base-Base interactions energy: -7.279 where: short stacking energy: -7.279 Base-Backbone interact. energy: -0.078 local terms energy: -21.709823 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -2.249 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: 9, replica: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -30.933185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.933185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.933185 (E_RNA) where: Base-Base interactions energy: -4.820 where: short stacking energy: -4.820 Base-Backbone interact. energy: -0.000 local terms energy: -26.113083 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -0.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -30.810560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.810560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.810560 (E_RNA) where: Base-Base interactions energy: -5.944 where: short stacking energy: -5.944 Base-Backbone interact. energy: -0.093 local terms energy: -24.773566 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -5.360 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.260 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: 1, replica: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -46.504350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.504350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.504350 (E_RNA) where: Base-Base interactions energy: -16.424 where: short stacking energy: -13.871 Base-Backbone interact. energy: -0.004 local terms energy: -30.076753 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -6.580 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: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -36.296381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.296381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.296381 (E_RNA) where: Base-Base interactions energy: -10.650 where: short stacking energy: -10.650 Base-Backbone interact. energy: -0.011 local terms energy: -25.635357 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -4.111 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: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -43.375439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.375439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.375439 (E_RNA) where: Base-Base interactions energy: -16.779 where: short stacking energy: -16.779 Base-Backbone interact. energy: -0.000 local terms energy: -26.596504 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -33.245871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.245871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.245871 (E_RNA) where: Base-Base interactions energy: -8.083 where: short stacking energy: -8.083 Base-Backbone interact. energy: -0.000 local terms energy: -25.162554 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -31.768394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.768394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.768394 (E_RNA) where: Base-Base interactions energy: -9.811 where: short stacking energy: -9.811 Base-Backbone interact. energy: -0.001 local terms energy: -21.956836 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -3.385 flat angles P-C4'-P energy: -5.182 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: 6, replica: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -33.760891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.760891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.760891 (E_RNA) where: Base-Base interactions energy: -8.668 where: short stacking energy: -8.668 Base-Backbone interact. energy: -0.002 local terms energy: -25.091576 where: bonds (distance) C4'-P energy: -3.103 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -6.167 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: 7, replica: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -29.325284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.325284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.325284 (E_RNA) where: Base-Base interactions energy: -5.284 where: short stacking energy: -5.284 Base-Backbone interact. energy: -0.084 local terms energy: -23.957746 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -29.284113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.284113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.284113 (E_RNA) where: Base-Base interactions energy: -9.433 where: short stacking energy: -9.433 Base-Backbone interact. energy: -0.000 local terms energy: -19.850516 where: bonds (distance) C4'-P energy: -3.580 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -1.193 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -30.133047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.133047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.133047 (E_RNA) where: Base-Base interactions energy: -10.038 where: short stacking energy: -8.821 Base-Backbone interact. energy: 0.918 local terms energy: -21.012729 where: bonds (distance) C4'-P energy: -6.784 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.113 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -28.416597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.416597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.416597 (E_RNA) where: Base-Base interactions energy: -10.350 where: short stacking energy: -10.350 Base-Backbone interact. energy: -0.014 local terms energy: -18.052789 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.774 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -1.169 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: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -39.904290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.904290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.904290 (E_RNA) where: Base-Base interactions energy: -13.596 where: short stacking energy: -13.596 Base-Backbone interact. energy: 0.595 local terms energy: -26.903731 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -44.909146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.909146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.909146 (E_RNA) where: Base-Base interactions energy: -18.076 where: short stacking energy: -13.452 Base-Backbone interact. energy: -0.000 local terms energy: -26.833000 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -45.081034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.081034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.081034 (E_RNA) where: Base-Base interactions energy: -13.877 where: short stacking energy: -13.877 Base-Backbone interact. energy: -0.000 local terms energy: -31.203666 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -36.100289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.100289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.100289 (E_RNA) where: Base-Base interactions energy: -10.745 where: short stacking energy: -10.745 Base-Backbone interact. energy: -0.000 local terms energy: -25.354915 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -3.195 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -32.406417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.406417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.406417 (E_RNA) where: Base-Base interactions energy: -9.044 where: short stacking energy: -9.044 Base-Backbone interact. energy: -0.078 local terms energy: -23.284209 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -5.600 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: 6, replica: 10 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -32.169822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.169822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.169822 (E_RNA) where: Base-Base interactions energy: -6.280 where: short stacking energy: -6.280 Base-Backbone interact. energy: -0.000 local terms energy: -25.890089 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -32.444365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.444365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.444365 (E_RNA) where: Base-Base interactions energy: -7.508 where: short stacking energy: -7.508 Base-Backbone interact. energy: -0.024 local terms energy: -24.912649 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -32.254632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.254632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.254632 (E_RNA) where: Base-Base interactions energy: -11.168 where: short stacking energy: -5.724 Base-Backbone interact. energy: -0.020 local terms energy: -21.067033 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -5.518 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: 9, replica: 6 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -30.624229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.624229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.624229 (E_RNA) where: Base-Base interactions energy: -6.947 where: short stacking energy: -6.947 Base-Backbone interact. energy: -0.014 local terms energy: -23.663094 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -3.524 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: 10, replica: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -29.271531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.271531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.271531 (E_RNA) where: Base-Base interactions energy: -4.836 where: short stacking energy: -4.836 Base-Backbone interact. energy: -0.214 local terms energy: -24.221359 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -3.934 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: 1, replica: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -38.492906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.492906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.492906 (E_RNA) where: Base-Base interactions energy: -10.022 where: short stacking energy: -10.022 Base-Backbone interact. energy: -0.048 local terms energy: -28.422767 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -3.597 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: 2, replica: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -39.564665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.564665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.564665 (E_RNA) where: Base-Base interactions energy: -14.179 where: short stacking energy: -14.179 Base-Backbone interact. energy: -0.009 local terms energy: -25.376532 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.327 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: 3, replica: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -42.476150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.476150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.476150 (E_RNA) where: Base-Base interactions energy: -13.577 where: short stacking energy: -13.577 Base-Backbone interact. energy: -0.001 local terms energy: -28.898097 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -4.788 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: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -31.788548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.788548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.788548 (E_RNA) where: Base-Base interactions energy: -8.956 where: short stacking energy: -8.956 Base-Backbone interact. energy: -0.000 local terms energy: -22.832268 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -36.036711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.036711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.036711 (E_RNA) where: Base-Base interactions energy: -14.430 where: short stacking energy: -14.430 Base-Backbone interact. energy: -0.005 local terms energy: -21.601691 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -3.521 flat angles P-C4'-P energy: -1.818 tors. eta vs tors. theta energy: -4.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -30.896913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.896913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.896913 (E_RNA) where: Base-Base interactions energy: -6.066 where: short stacking energy: -6.066 Base-Backbone interact. energy: -0.046 local terms energy: -24.784506 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -4.301 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: 7, replica: 10 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -30.568222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.568222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.568222 (E_RNA) where: Base-Base interactions energy: -7.253 where: short stacking energy: -7.253 Base-Backbone interact. energy: -1.031 local terms energy: -22.284734 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -3.248 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: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -29.814938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.814938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.814938 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.000 local terms energy: -18.579336 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: 1.541 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: 9, replica: 8 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -27.261330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.261330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.261330 (E_RNA) where: Base-Base interactions energy: -6.041 where: short stacking energy: -5.067 Base-Backbone interact. energy: 1.263 local terms energy: -22.483695 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -5.614 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: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -28.759701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.759701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.759701 (E_RNA) where: Base-Base interactions energy: -3.665 where: short stacking energy: -3.665 Base-Backbone interact. energy: -0.001 local terms energy: -25.094112 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -2.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -38.918313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.918313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.918313 (E_RNA) where: Base-Base interactions energy: -11.363 where: short stacking energy: -11.363 Base-Backbone interact. energy: -0.007 local terms energy: -27.548187 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -4.021 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: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -34.616009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.616009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.616009 (E_RNA) where: Base-Base interactions energy: -10.550 where: short stacking energy: -10.550 Base-Backbone interact. energy: -0.015 local terms energy: -24.051109 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -39.920804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.920804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.920804 (E_RNA) where: Base-Base interactions energy: -13.821 where: short stacking energy: -13.821 Base-Backbone interact. energy: -0.001 local terms energy: -26.098855 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -36.912115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.912115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.912115 (E_RNA) where: Base-Base interactions energy: -13.393 where: short stacking energy: -13.393 Base-Backbone interact. energy: -0.000 local terms energy: -23.518936 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -3.882 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: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -35.157778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.157778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.157778 (E_RNA) where: Base-Base interactions energy: -9.664 where: short stacking energy: -9.664 Base-Backbone interact. energy: -0.090 local terms energy: -25.404120 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -4.693 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: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -31.631018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.631018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.631018 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -6.993 Base-Backbone interact. energy: 0.579 local terms energy: -25.216641 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -4.776 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: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -29.638867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.638867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.638867 (E_RNA) where: Base-Base interactions energy: -4.769 where: short stacking energy: -4.769 Base-Backbone interact. energy: -0.013 local terms energy: -24.856743 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -31.942302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.942302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.942302 (E_RNA) where: Base-Base interactions energy: -9.643 where: short stacking energy: -9.643 Base-Backbone interact. energy: -0.002 local terms energy: -22.297457 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -31.047367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.047367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.047367 (E_RNA) where: Base-Base interactions energy: -6.986 where: short stacking energy: -6.986 Base-Backbone interact. energy: -0.351 local terms energy: -23.710289 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -5.137 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: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -27.515723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.515723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.515723 (E_RNA) where: Base-Base interactions energy: -3.942 where: short stacking energy: -3.942 Base-Backbone interact. energy: -0.147 local terms energy: -23.426895 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -42.491464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.491464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.491464 (E_RNA) where: Base-Base interactions energy: -15.499 where: short stacking energy: -15.499 Base-Backbone interact. energy: -0.000 local terms energy: -26.992025 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -44.932802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.932802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.932802 (E_RNA) where: Base-Base interactions energy: -14.644 where: short stacking energy: -14.644 Base-Backbone interact. energy: -0.000 local terms energy: -30.288413 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -6.218 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: 207 Temperature: 1.000000 Total energy: -36.363036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.363036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.363036 (E_RNA) where: Base-Base interactions energy: -10.319 where: short stacking energy: -8.179 Base-Backbone interact. energy: -0.221 local terms energy: -25.823058 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -6.002 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: 4, replica: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -36.179728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.179728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.179728 (E_RNA) where: Base-Base interactions energy: -10.554 where: short stacking energy: -10.554 Base-Backbone interact. energy: -0.000 local terms energy: -25.625307 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -34.531708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.531708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.531708 (E_RNA) where: Base-Base interactions energy: -11.599 where: short stacking energy: -11.599 Base-Backbone interact. energy: -0.000 local terms energy: -22.932431 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -2.320 tors. eta vs tors. theta energy: -2.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -34.956653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.956653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.956653 (E_RNA) where: Base-Base interactions energy: -9.600 where: short stacking energy: -9.600 Base-Backbone interact. energy: -0.018 local terms energy: -25.338040 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -30.572441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.572441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.572441 (E_RNA) where: Base-Base interactions energy: -7.573 where: short stacking energy: -7.573 Base-Backbone interact. energy: -0.090 local terms energy: -22.909488 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -28.128132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.128132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.128132 (E_RNA) where: Base-Base interactions energy: -7.532 where: short stacking energy: -7.532 Base-Backbone interact. energy: -0.265 local terms energy: -20.331081 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -0.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -31.886630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.886630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.886630 (E_RNA) where: Base-Base interactions energy: -9.618 where: short stacking energy: -9.618 Base-Backbone interact. energy: -0.187 local terms energy: -22.081852 where: bonds (distance) C4'-P energy: -1.695 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: -4.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -31.964148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.964148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.964148 (E_RNA) where: Base-Base interactions energy: -7.862 where: short stacking energy: -7.862 Base-Backbone interact. energy: -0.003 local terms energy: -24.099200 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -0.779 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: 1, replica: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -38.600693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.600693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.600693 (E_RNA) where: Base-Base interactions energy: -10.268 where: short stacking energy: -10.268 Base-Backbone interact. energy: -0.991 local terms energy: -27.341827 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -4.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -36.633903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.633903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.633903 (E_RNA) where: Base-Base interactions energy: -10.984 where: short stacking energy: -10.984 Base-Backbone interact. energy: -0.001 local terms energy: -25.649080 where: bonds (distance) C4'-P energy: -4.614 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -4.351 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: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -33.290981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.290981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.290981 (E_RNA) where: Base-Base interactions energy: -9.704 where: short stacking energy: -9.704 Base-Backbone interact. energy: -0.000 local terms energy: -23.586801 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -5.497 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: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -33.678084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.678084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.678084 (E_RNA) where: Base-Base interactions energy: -10.326 where: short stacking energy: -10.326 Base-Backbone interact. energy: -0.001 local terms energy: -23.351171 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -33.282081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.282081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.282081 (E_RNA) where: Base-Base interactions energy: -8.894 where: short stacking energy: -8.894 Base-Backbone interact. energy: -0.039 local terms energy: -24.349040 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -0.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -33.318852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.318852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.318852 (E_RNA) where: Base-Base interactions energy: -7.700 where: short stacking energy: -7.700 Base-Backbone interact. energy: -0.075 local terms energy: -25.543472 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -4.793 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: 7, replica: 9 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -34.875584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.875584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.875584 (E_RNA) where: Base-Base interactions energy: -9.350 where: short stacking energy: -9.350 Base-Backbone interact. energy: -0.000 local terms energy: -25.525241 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.943 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: 8, replica: 1 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -31.356805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.356805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.356805 (E_RNA) where: Base-Base interactions energy: -8.135 where: short stacking energy: -8.135 Base-Backbone interact. energy: -0.004 local terms energy: -23.218328 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -2.001 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: 9, replica: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -27.265715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.265715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.265715 (E_RNA) where: Base-Base interactions energy: -3.346 where: short stacking energy: -3.346 Base-Backbone interact. energy: -0.000 local terms energy: -23.919859 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.606 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: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -31.037818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.037818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.037818 (E_RNA) where: Base-Base interactions energy: -7.866 where: short stacking energy: -7.866 Base-Backbone interact. energy: -0.094 local terms energy: -23.077245 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -4.185 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: 1, replica: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -42.974974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.974974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.974974 (E_RNA) where: Base-Base interactions energy: -13.435 where: short stacking energy: -13.435 Base-Backbone interact. energy: -0.077 local terms energy: -29.462881 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -32.503383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.503383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.503383 (E_RNA) where: Base-Base interactions energy: -9.164 where: short stacking energy: -5.180 Base-Backbone interact. energy: -0.101 local terms energy: -23.238653 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: 1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -40.229388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.229388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.229388 (E_RNA) where: Base-Base interactions energy: -10.282 where: short stacking energy: -10.282 Base-Backbone interact. energy: -0.000 local terms energy: -29.947467 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -5.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -32.425003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.425003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.425003 (E_RNA) where: Base-Base interactions energy: -7.265 where: short stacking energy: -7.265 Base-Backbone interact. energy: -0.000 local terms energy: -25.159648 where: bonds (distance) C4'-P energy: -6.275 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -31.814396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.814396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.814396 (E_RNA) where: Base-Base interactions energy: -8.995 where: short stacking energy: -8.995 Base-Backbone interact. energy: -0.000 local terms energy: -22.819374 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -33.028270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.028270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.028270 (E_RNA) where: Base-Base interactions energy: -10.793 where: short stacking energy: -8.914 Base-Backbone interact. energy: -0.187 local terms energy: -22.047863 where: bonds (distance) C4'-P energy: -4.348 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -2.993 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: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -33.311464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.311464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.311464 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.132 local terms energy: -23.145587 where: bonds (distance) C4'-P energy: -4.842 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -5.854 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: 8, replica: 8 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -33.414131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.414131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.414131 (E_RNA) where: Base-Base interactions energy: -9.501 where: short stacking energy: -9.501 Base-Backbone interact. energy: -0.089 local terms energy: -23.823502 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -33.650278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.650278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.650278 (E_RNA) where: Base-Base interactions energy: -9.667 where: short stacking energy: -9.667 Base-Backbone interact. energy: -0.000 local terms energy: -23.982768 where: bonds (distance) C4'-P energy: -3.682 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.662 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -5.346 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: 209 Temperature: 1.350000 Total energy: -32.746574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.746574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.746574 (E_RNA) where: Base-Base interactions energy: -10.540 where: short stacking energy: -9.438 Base-Backbone interact. energy: -0.067 local terms energy: -22.138860 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -0.831 tors. eta vs tors. theta energy: -4.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -33.325297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.325297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.325297 (E_RNA) where: Base-Base interactions energy: -7.064 where: short stacking energy: -7.108 Base-Backbone interact. energy: -0.000 local terms energy: -26.260832 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -33.709077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.709077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.709077 (E_RNA) where: Base-Base interactions energy: -7.892 where: short stacking energy: -7.892 Base-Backbone interact. energy: 0.689 local terms energy: -26.506287 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -41.183509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.183509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.183509 (E_RNA) where: Base-Base interactions energy: -11.636 where: short stacking energy: -10.551 Base-Backbone interact. energy: -0.353 local terms energy: -29.194566 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -5.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -34.623704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.623704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.623704 (E_RNA) where: Base-Base interactions energy: -10.368 where: short stacking energy: -10.368 Base-Backbone interact. energy: -0.004 local terms energy: -24.251297 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -28.791764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.791764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.791764 (E_RNA) where: Base-Base interactions energy: -6.153 where: short stacking energy: -6.153 Base-Backbone interact. energy: -0.004 local terms energy: -22.634497 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -4.678 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: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -31.723849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.723849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.723849 (E_RNA) where: Base-Base interactions energy: -5.596 where: short stacking energy: -4.612 Base-Backbone interact. energy: 0.179 local terms energy: -26.306633 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -4.118 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: 8 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -29.589914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.589914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.589914 (E_RNA) where: Base-Base interactions energy: -8.491 where: short stacking energy: -8.491 Base-Backbone interact. energy: -0.025 local terms energy: -21.074071 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -3.906 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: 8, replica: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -29.052574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.052574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.052574 (E_RNA) where: Base-Base interactions energy: -4.728 where: short stacking energy: -4.728 Base-Backbone interact. energy: -0.097 local terms energy: -24.226616 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -26.197927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.197927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.197927 (E_RNA) where: Base-Base interactions energy: -8.202 where: short stacking energy: -8.202 Base-Backbone interact. energy: -0.748 local terms energy: -17.248366 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -4.026 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -2.209 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: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -30.028013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.028013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.028013 (E_RNA) where: Base-Base interactions energy: -5.253 where: short stacking energy: -5.253 Base-Backbone interact. energy: -0.028 local terms energy: -24.746819 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -4.797 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: 1, replica: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -37.512507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.512507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.512507 (E_RNA) where: Base-Base interactions energy: -9.195 where: short stacking energy: -9.195 Base-Backbone interact. energy: -0.001 local terms energy: -28.316335 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -32.142513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.142513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.142513 (E_RNA) where: Base-Base interactions energy: -7.275 where: short stacking energy: -7.275 Base-Backbone interact. energy: -0.099 local terms energy: -24.768011 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -2.710 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: 3, replica: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -35.939386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.939386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.939386 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.092 local terms energy: -28.642889 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -5.694 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: 4, replica: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -37.041772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.041772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.041772 (E_RNA) where: Base-Base interactions energy: -10.774 where: short stacking energy: -10.774 Base-Backbone interact. energy: -0.035 local terms energy: -26.232136 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -30.264630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.264630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.264630 (E_RNA) where: Base-Base interactions energy: -7.256 where: short stacking energy: -6.726 Base-Backbone interact. energy: -0.991 local terms energy: -22.017299 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -3.914 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -29.799940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.799940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.799940 (E_RNA) where: Base-Base interactions energy: -8.820 where: short stacking energy: -8.820 Base-Backbone interact. energy: -0.000 local terms energy: -20.979917 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -2.576 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: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -31.087444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.087444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.087444 (E_RNA) where: Base-Base interactions energy: -7.718 where: short stacking energy: -7.718 Base-Backbone interact. energy: -0.092 local terms energy: -23.277087 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -33.419641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.419641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.419641 (E_RNA) where: Base-Base interactions energy: -7.474 where: short stacking energy: -7.474 Base-Backbone interact. energy: -0.000 local terms energy: -25.944979 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -3.479 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: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -31.096272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.096272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.096272 (E_RNA) where: Base-Base interactions energy: -3.539 where: short stacking energy: -3.539 Base-Backbone interact. energy: -0.098 local terms energy: -27.459288 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -4.521 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: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -24.204082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.204082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.204082 (E_RNA) where: Base-Base interactions energy: -2.912 where: short stacking energy: -2.912 Base-Backbone interact. energy: -0.162 local terms energy: -21.130782 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -4.562 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: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -35.391299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.391299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.391299 (E_RNA) where: Base-Base interactions energy: -7.229 where: short stacking energy: -7.229 Base-Backbone interact. energy: -0.019 local terms energy: -28.142926 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -34.940103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.940103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.940103 (E_RNA) where: Base-Base interactions energy: -9.737 where: short stacking energy: -9.737 Base-Backbone interact. energy: -0.021 local terms energy: -25.182070 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -42.681923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.681923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.681923 (E_RNA) where: Base-Base interactions energy: -14.767 where: short stacking energy: -14.767 Base-Backbone interact. energy: -0.008 local terms energy: -27.907405 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -4.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -39.635216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.635216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.635216 (E_RNA) where: Base-Base interactions energy: -10.293 where: short stacking energy: -10.293 Base-Backbone interact. energy: -0.000 local terms energy: -29.342033 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -6.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -32.418524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.418524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.418524 (E_RNA) where: Base-Base interactions energy: -10.380 where: short stacking energy: -10.380 Base-Backbone interact. energy: -0.016 local terms energy: -22.022804 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -2.493 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: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -32.361822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.361822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.361822 (E_RNA) where: Base-Base interactions energy: -8.835 where: short stacking energy: -9.451 Base-Backbone interact. energy: -1.054 local terms energy: -22.471851 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.879 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: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -28.376521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.376521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.376521 (E_RNA) where: Base-Base interactions energy: -6.610 where: short stacking energy: -6.610 Base-Backbone interact. energy: -0.090 local terms energy: -21.676077 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -2.058 flat angles P-C4'-P energy: -3.825 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: 8, replica: 5 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -30.606145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.606145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.606145 (E_RNA) where: Base-Base interactions energy: -6.207 where: short stacking energy: -6.207 Base-Backbone interact. energy: -0.012 local terms energy: -24.387035 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.124 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -26.842032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.842032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.842032 (E_RNA) where: Base-Base interactions energy: -5.576 where: short stacking energy: -5.576 Base-Backbone interact. energy: -0.194 local terms energy: -21.071911 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: 1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -29.186743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.186743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.186743 (E_RNA) where: Base-Base interactions energy: -9.019 where: short stacking energy: -8.792 Base-Backbone interact. energy: -0.028 local terms energy: -20.140325 where: bonds (distance) C4'-P energy: -4.979 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -2.533 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: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -34.651276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.651276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.651276 (E_RNA) where: Base-Base interactions energy: -9.487 where: short stacking energy: -7.470 Base-Backbone interact. energy: -0.994 local terms energy: -24.170448 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -3.801 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: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -42.169943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.169943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.169943 (E_RNA) where: Base-Base interactions energy: -10.495 where: short stacking energy: -10.495 Base-Backbone interact. energy: -0.048 local terms energy: -31.627302 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -41.991329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.991329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.991329 (E_RNA) where: Base-Base interactions energy: -13.207 where: short stacking energy: -13.207 Base-Backbone interact. energy: -0.000 local terms energy: -28.784514 where: bonds (distance) C4'-P energy: -4.542 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -6.097 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: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -36.677180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.677180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.677180 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.000 local terms energy: -27.525448 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -4.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -32.121929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.121929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.121929 (E_RNA) where: Base-Base interactions energy: -9.384 where: short stacking energy: -9.384 Base-Backbone interact. energy: -0.252 local terms energy: -22.485292 where: bonds (distance) C4'-P energy: -4.933 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -3.649 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: 6, replica: 10 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -36.291359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.291359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.291359 (E_RNA) where: Base-Base interactions energy: -13.688 where: short stacking energy: -11.824 Base-Backbone interact. energy: -0.087 local terms energy: -22.515802 where: bonds (distance) C4'-P energy: -4.668 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -3.934 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: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -29.974782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.974782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.974782 (E_RNA) where: Base-Base interactions energy: -6.138 where: short stacking energy: -6.138 Base-Backbone interact. energy: -0.000 local terms energy: -23.836305 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -31.032937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.032937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.032937 (E_RNA) where: Base-Base interactions energy: -6.227 where: short stacking energy: -6.227 Base-Backbone interact. energy: -0.078 local terms energy: -24.727727 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -2.393 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: 9, replica: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -32.255649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.255649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.255649 (E_RNA) where: Base-Base interactions energy: -7.344 where: short stacking energy: -7.344 Base-Backbone interact. energy: -0.061 local terms energy: -24.850791 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -5.411 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: 10, replica: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -30.404781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.404781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.404781 (E_RNA) where: Base-Base interactions energy: -10.666 where: short stacking energy: -10.666 Base-Backbone interact. energy: -0.006 local terms energy: -19.732782 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -4.548 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.570 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: 1, replica: 9 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -41.284849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.284849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.284849 (E_RNA) where: Base-Base interactions energy: -12.473 where: short stacking energy: -12.473 Base-Backbone interact. energy: -0.008 local terms energy: -28.804077 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -4.799 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -4.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -36.226989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.226989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.226989 (E_RNA) where: Base-Base interactions energy: -10.013 where: short stacking energy: -10.013 Base-Backbone interact. energy: -0.045 local terms energy: -26.168912 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -5.505 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: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -36.505555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.505555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.505555 (E_RNA) where: Base-Base interactions energy: -10.967 where: short stacking energy: -10.967 Base-Backbone interact. energy: -0.000 local terms energy: -25.538700 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -1.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -35.809529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.809529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.809529 (E_RNA) where: Base-Base interactions energy: -11.510 where: short stacking energy: -11.510 Base-Backbone interact. energy: -0.000 local terms energy: -24.299221 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: -2.749 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: 10 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -31.157294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.157294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.157294 (E_RNA) where: Base-Base interactions energy: -7.281 where: short stacking energy: -7.281 Base-Backbone interact. energy: -0.034 local terms energy: -23.842309 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -2.412 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: 6, replica: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -32.641506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.641506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.641506 (E_RNA) where: Base-Base interactions energy: -8.205 where: short stacking energy: -8.205 Base-Backbone interact. energy: -0.008 local terms energy: -24.428484 where: bonds (distance) C4'-P energy: -4.676 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -3.635 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: 7, replica: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -33.986314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.986314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.986314 (E_RNA) where: Base-Base interactions energy: -7.171 where: short stacking energy: -7.171 Base-Backbone interact. energy: -0.000 local terms energy: -26.815110 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -31.171457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.171457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.171457 (E_RNA) where: Base-Base interactions energy: -5.627 where: short stacking energy: -5.627 Base-Backbone interact. energy: -0.021 local terms energy: -25.523520 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -30.025874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.025874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.025874 (E_RNA) where: Base-Base interactions energy: -6.269 where: short stacking energy: -6.269 Base-Backbone interact. energy: -0.007 local terms energy: -23.749775 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -4.052 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: 10, replica: 5 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -27.543944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.543944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.543944 (E_RNA) where: Base-Base interactions energy: -3.807 where: short stacking energy: -3.807 Base-Backbone interact. energy: -0.100 local terms energy: -23.636779 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -38.305811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.305811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.305811 (E_RNA) where: Base-Base interactions energy: -10.370 where: short stacking energy: -10.370 Base-Backbone interact. energy: -0.088 local terms energy: -27.847767 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -40.003476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.003476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.003476 (E_RNA) where: Base-Base interactions energy: -14.731 where: short stacking energy: -14.731 Base-Backbone interact. energy: -0.006 local terms energy: -25.266326 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -3.854 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -3.384 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: 3, replica: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -36.424613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.424613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.424613 (E_RNA) where: Base-Base interactions energy: -8.609 where: short stacking energy: -8.609 Base-Backbone interact. energy: -0.000 local terms energy: -27.815576 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -2.929 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: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -35.345495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.345495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.345495 (E_RNA) where: Base-Base interactions energy: -11.663 where: short stacking energy: -11.663 Base-Backbone interact. energy: -0.034 local terms energy: -23.647962 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -4.944 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: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -37.413798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.413798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.413798 (E_RNA) where: Base-Base interactions energy: -10.248 where: short stacking energy: -10.248 Base-Backbone interact. energy: -0.000 local terms energy: -27.165310 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -2.095 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -33.927796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.927796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.927796 (E_RNA) where: Base-Base interactions energy: -11.051 where: short stacking energy: -11.051 Base-Backbone interact. energy: -0.074 local terms energy: -22.803208 where: bonds (distance) C4'-P energy: -6.216 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.096 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: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -32.206865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.206865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.206865 (E_RNA) where: Base-Base interactions energy: -7.899 where: short stacking energy: -7.899 Base-Backbone interact. energy: -0.164 local terms energy: -24.144081 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -3.688 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: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -35.394244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.394244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.394244 (E_RNA) where: Base-Base interactions energy: -11.129 where: short stacking energy: -11.129 Base-Backbone interact. energy: -0.000 local terms energy: -24.265341 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -4.167 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -35.808025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.808025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.808025 (E_RNA) where: Base-Base interactions energy: -9.599 where: short stacking energy: -9.694 Base-Backbone interact. energy: 0.002 local terms energy: -26.211337 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -4.017 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: 10, replica: 5 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -31.670882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.670882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.670882 (E_RNA) where: Base-Base interactions energy: -6.768 where: short stacking energy: -6.768 Base-Backbone interact. energy: -0.073 local terms energy: -24.830495 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -4.482 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: 9 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -37.362927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.362927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.362927 (E_RNA) where: Base-Base interactions energy: -11.862 where: short stacking energy: -11.862 Base-Backbone interact. energy: -0.157 local terms energy: -25.343552 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -3.912 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: 2, replica: 8 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -35.735596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.735596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.735596 (E_RNA) where: Base-Base interactions energy: -9.942 where: short stacking energy: -9.942 Base-Backbone interact. energy: -0.986 local terms energy: -24.807030 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.930 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -1.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -31.996145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.996145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.996145 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.000 local terms energy: -24.273270 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.028 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: 4, replica: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -37.326882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.326882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.326882 (E_RNA) where: Base-Base interactions energy: -9.227 where: short stacking energy: -9.227 Base-Backbone interact. energy: -0.761 local terms energy: -27.338269 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -5.764 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: 1 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -31.984697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.984697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.984697 (E_RNA) where: Base-Base interactions energy: -5.835 where: short stacking energy: -5.835 Base-Backbone interact. energy: -0.166 local terms energy: -25.983452 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -31.548402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.548402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.548402 (E_RNA) where: Base-Base interactions energy: -4.854 where: short stacking energy: -4.854 Base-Backbone interact. energy: -0.093 local terms energy: -26.601379 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -32.523306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.523306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.523306 (E_RNA) where: Base-Base interactions energy: -6.392 where: short stacking energy: -6.392 Base-Backbone interact. energy: -0.030 local terms energy: -26.101731 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: -3.079 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: 8, replica: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -30.047634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.047634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.047634 (E_RNA) where: Base-Base interactions energy: -6.383 where: short stacking energy: -6.383 Base-Backbone interact. energy: -0.028 local terms energy: -23.636619 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -3.143 flat angles P-C4'-P energy: -3.193 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: 9, replica: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -31.111411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.111411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.111411 (E_RNA) where: Base-Base interactions energy: -7.385 where: short stacking energy: -7.385 Base-Backbone interact. energy: -0.001 local terms energy: -23.724455 where: bonds (distance) C4'-P energy: -4.633 bonds (distance) P-C4' energy: -5.167 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -4.767 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: 10, replica: 6 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -28.435802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.435802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.435802 (E_RNA) where: Base-Base interactions energy: -4.649 where: short stacking energy: -4.649 Base-Backbone interact. energy: -0.008 local terms energy: -23.778914 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.226 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -5.461 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: 1, replica: 9 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -38.601891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.601891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.601891 (E_RNA) where: Base-Base interactions energy: -12.349 where: short stacking energy: -12.349 Base-Backbone interact. energy: -0.005 local terms energy: -26.247222 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -3.197 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: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -38.418171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.418171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.418171 (E_RNA) where: Base-Base interactions energy: -15.314 where: short stacking energy: -11.707 Base-Backbone interact. energy: -0.020 local terms energy: -23.083518 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -4.060 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: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -38.227658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.227658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.227658 (E_RNA) where: Base-Base interactions energy: -11.664 where: short stacking energy: -11.664 Base-Backbone interact. energy: -0.087 local terms energy: -26.476443 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -37.346805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.346805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.346805 (E_RNA) where: Base-Base interactions energy: -10.327 where: short stacking energy: -10.073 Base-Backbone interact. energy: -0.225 local terms energy: -26.794285 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -4.872 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: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -31.085119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.085119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.085119 (E_RNA) where: Base-Base interactions energy: -11.789 where: short stacking energy: -11.789 Base-Backbone interact. energy: -0.032 local terms energy: -19.263825 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -3.490 flat angles P-C4'-P energy: -4.278 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: 6, replica: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -30.385905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.385905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.385905 (E_RNA) where: Base-Base interactions energy: -6.331 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.000 local terms energy: -24.054820 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -1.079 tors. eta vs tors. theta energy: -3.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -29.550834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.550834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.550834 (E_RNA) where: Base-Base interactions energy: -4.566 where: short stacking energy: -4.566 Base-Backbone interact. energy: -0.007 local terms energy: -24.978053 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -3.444 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: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -29.446900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.446900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.446900 (E_RNA) where: Base-Base interactions energy: -4.882 where: short stacking energy: -4.882 Base-Backbone interact. energy: -0.021 local terms energy: -24.543754 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -4.298 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: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -31.425864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.425864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.425864 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -6.867 Base-Backbone interact. energy: -0.029 local terms energy: -24.529322 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: 0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -32.398515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.398515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.398515 (E_RNA) where: Base-Base interactions energy: -11.072 where: short stacking energy: -11.072 Base-Backbone interact. energy: -0.039 local terms energy: -21.286883 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -4.374 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: 1, replica: 9 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -39.145737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.145737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.145737 (E_RNA) where: Base-Base interactions energy: -13.135 where: short stacking energy: -13.135 Base-Backbone interact. energy: -0.004 local terms energy: -26.006664 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -39.235570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.235570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.235570 (E_RNA) where: Base-Base interactions energy: -13.087 where: short stacking energy: -13.087 Base-Backbone interact. energy: -0.006 local terms energy: -26.142529 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -3.851 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: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -34.226027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.226027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.226027 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.015 local terms energy: -27.430930 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -5.285 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: 4, replica: 1 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -36.636054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.636054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.636054 (E_RNA) where: Base-Base interactions energy: -14.472 where: short stacking energy: -14.472 Base-Backbone interact. energy: -0.002 local terms energy: -22.162484 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -1.764 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -38.923111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.923111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.923111 (E_RNA) where: Base-Base interactions energy: -10.442 where: short stacking energy: -10.442 Base-Backbone interact. energy: -0.000 local terms energy: -28.481541 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -3.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -36.556224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.556224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.556224 (E_RNA) where: Base-Base interactions energy: -10.979 where: short stacking energy: -10.979 Base-Backbone interact. energy: -0.095 local terms energy: -25.481638 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -26.349031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.349031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.349031 (E_RNA) where: Base-Base interactions energy: -8.277 where: short stacking energy: -8.277 Base-Backbone interact. energy: -0.008 local terms energy: -18.063927 where: bonds (distance) C4'-P energy: -4.196 bonds (distance) P-C4' energy: -4.802 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -30.138555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.138555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.138555 (E_RNA) where: Base-Base interactions energy: -7.169 where: short stacking energy: -7.169 Base-Backbone interact. energy: -0.017 local terms energy: -22.953435 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -34.332475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.332475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.332475 (E_RNA) where: Base-Base interactions energy: -9.121 where: short stacking energy: -9.121 Base-Backbone interact. energy: -0.005 local terms energy: -25.206165 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -4.632 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: 10, replica: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -29.254225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.254225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.254225 (E_RNA) where: Base-Base interactions energy: -8.972 where: short stacking energy: -8.972 Base-Backbone interact. energy: -0.088 local terms energy: -20.194358 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -3.304 flat angles P-C4'-P energy: -3.944 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: 9 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -39.823557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.823557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.823557 (E_RNA) where: Base-Base interactions energy: -11.728 where: short stacking energy: -11.728 Base-Backbone interact. energy: -0.005 local terms energy: -28.090874 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -3.604 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: 2, replica: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -37.448774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.448774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.448774 (E_RNA) where: Base-Base interactions energy: -12.356 where: short stacking energy: -12.356 Base-Backbone interact. energy: -0.139 local terms energy: -24.953426 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -3.713 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: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -36.529588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.529588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.529588 (E_RNA) where: Base-Base interactions energy: -9.787 where: short stacking energy: -9.787 Base-Backbone interact. energy: -0.993 local terms energy: -25.749635 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -38.276183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.276183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.276183 (E_RNA) where: Base-Base interactions energy: -14.608 where: short stacking energy: -14.608 Base-Backbone interact. energy: -0.000 local terms energy: -23.668174 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -33.267419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.267419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.267419 (E_RNA) where: Base-Base interactions energy: -9.608 where: short stacking energy: -9.608 Base-Backbone interact. energy: -0.004 local terms energy: -23.654909 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.661 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: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -31.247338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.247338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.247338 (E_RNA) where: Base-Base interactions energy: -10.964 where: short stacking energy: -10.964 Base-Backbone interact. energy: -0.008 local terms energy: -20.276051 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -1.327 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: 7, replica: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -26.476020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.476020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.476020 (E_RNA) where: Base-Base interactions energy: -11.301 where: short stacking energy: -11.301 Base-Backbone interact. energy: -0.004 local terms energy: -15.170361 where: bonds (distance) C4'-P energy: -3.711 bonds (distance) P-C4' energy: -3.594 flat angles C4'-P-C4' energy: -1.629 flat angles P-C4'-P energy: -2.962 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: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -30.070451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.070451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.070451 (E_RNA) where: Base-Base interactions energy: -8.784 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.042 local terms energy: -21.243944 where: bonds (distance) C4'-P energy: -3.240 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -4.444 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: 9, replica: 4 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -34.855830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.855830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.855830 (E_RNA) where: Base-Base interactions energy: -7.379 where: short stacking energy: -7.379 Base-Backbone interact. energy: -0.002 local terms energy: -27.474909 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -27.682186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.682186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.682186 (E_RNA) where: Base-Base interactions energy: -4.580 where: short stacking energy: -4.580 Base-Backbone interact. energy: -0.065 local terms energy: -23.037161 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -3.406 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: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -42.537097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.537097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.537097 (E_RNA) where: Base-Base interactions energy: -14.853 where: short stacking energy: -14.853 Base-Backbone interact. energy: -0.001 local terms energy: -27.682958 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -3.926 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: 9 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -40.001899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.001899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.001899 (E_RNA) where: Base-Base interactions energy: -11.924 where: short stacking energy: -11.924 Base-Backbone interact. energy: -0.005 local terms energy: -28.072262 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -5.523 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: 10 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -40.782439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.782439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.782439 (E_RNA) where: Base-Base interactions energy: -12.648 where: short stacking energy: -11.061 Base-Backbone interact. energy: -0.003 local terms energy: -28.131107 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -2.572 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: 4, replica: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -40.277565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.277565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.277565 (E_RNA) where: Base-Base interactions energy: -12.366 where: short stacking energy: -12.366 Base-Backbone interact. energy: -0.024 local terms energy: -27.887880 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -4.999 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: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -31.916370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.916370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.916370 (E_RNA) where: Base-Base interactions energy: -8.229 where: short stacking energy: -5.951 Base-Backbone interact. energy: -0.146 local terms energy: -23.541380 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -4.167 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: 6, replica: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -36.304913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.304913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.304913 (E_RNA) where: Base-Base interactions energy: -8.468 where: short stacking energy: -8.468 Base-Backbone interact. energy: -0.000 local terms energy: -27.836696 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -29.943009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.943009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.943009 (E_RNA) where: Base-Base interactions energy: -7.601 where: short stacking energy: -7.601 Base-Backbone interact. energy: -0.102 local terms energy: -22.239936 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -1.709 tors. eta vs tors. theta energy: -4.578 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: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -28.243425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.243425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.243425 (E_RNA) where: Base-Base interactions energy: -2.142 where: short stacking energy: -2.142 Base-Backbone interact. energy: -0.036 local terms energy: -26.066160 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -4.721 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: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -37.311877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.311877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.311877 (E_RNA) where: Base-Base interactions energy: -9.761 where: short stacking energy: -9.761 Base-Backbone interact. energy: -0.066 local terms energy: -27.484749 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -6.029 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: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -29.468032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.468032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.468032 (E_RNA) where: Base-Base interactions energy: -6.523 where: short stacking energy: -6.523 Base-Backbone interact. energy: -0.049 local terms energy: -22.896484 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -4.708 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: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -40.985720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.985720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.985720 (E_RNA) where: Base-Base interactions energy: -11.979 where: short stacking energy: -11.979 Base-Backbone interact. energy: -0.003 local terms energy: -29.003271 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -5.703 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -37.917768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.917768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.917768 (E_RNA) where: Base-Base interactions energy: -11.493 where: short stacking energy: -11.493 Base-Backbone interact. energy: -0.124 local terms energy: -26.300313 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.763 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: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -38.297749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.297749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.297749 (E_RNA) where: Base-Base interactions energy: -13.600 where: short stacking energy: -13.600 Base-Backbone interact. energy: -0.000 local terms energy: -24.697305 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -3.736 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: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -37.430859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.430859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.430859 (E_RNA) where: Base-Base interactions energy: -10.925 where: short stacking energy: -10.925 Base-Backbone interact. energy: -0.000 local terms energy: -26.505371 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -30.220576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.220576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.220576 (E_RNA) where: Base-Base interactions energy: -6.668 where: short stacking energy: -6.668 Base-Backbone interact. energy: -0.131 local terms energy: -23.421527 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -4.177 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: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -35.025457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.025457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.025457 (E_RNA) where: Base-Base interactions energy: -11.707 where: short stacking energy: -11.707 Base-Backbone interact. energy: -0.005 local terms energy: -23.313782 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -4.823 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -5.294 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: 1 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -29.683704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.683704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.683704 (E_RNA) where: Base-Base interactions energy: -4.686 where: short stacking energy: -4.686 Base-Backbone interact. energy: -0.055 local terms energy: -24.942425 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -1.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -31.110783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.110783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.110783 (E_RNA) where: Base-Base interactions energy: -11.012 where: short stacking energy: -11.012 Base-Backbone interact. energy: -0.001 local terms energy: -20.098140 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -3.107 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: 3 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -32.989145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.989145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.989145 (E_RNA) where: Base-Base interactions energy: -7.743 where: short stacking energy: -7.743 Base-Backbone interact. energy: -0.086 local terms energy: -25.160320 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -30.557091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.557091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.557091 (E_RNA) where: Base-Base interactions energy: -5.671 where: short stacking energy: -5.671 Base-Backbone interact. energy: -0.000 local terms energy: -24.885690 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -6.481 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: 1, replica: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -40.687687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.687687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.687687 (E_RNA) where: Base-Base interactions energy: -13.269 where: short stacking energy: -13.269 Base-Backbone interact. energy: -0.000 local terms energy: -27.418999 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -38.096143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.096143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.096143 (E_RNA) where: Base-Base interactions energy: -13.149 where: short stacking energy: -13.149 Base-Backbone interact. energy: -0.098 local terms energy: -24.848759 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -5.282 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: 3, replica: 2 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -40.204255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.204255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.204255 (E_RNA) where: Base-Base interactions energy: -14.198 where: short stacking energy: -14.198 Base-Backbone interact. energy: -0.000 local terms energy: -26.006671 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -5.091 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: 4, replica: 9 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -33.375491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.375491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.375491 (E_RNA) where: Base-Base interactions energy: -9.745 where: short stacking energy: -9.745 Base-Backbone interact. energy: -0.002 local terms energy: -23.627981 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -34.824251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.824251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.824251 (E_RNA) where: Base-Base interactions energy: -7.754 where: short stacking energy: -7.754 Base-Backbone interact. energy: -0.062 local terms energy: -27.007932 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -5.660 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: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -33.284148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.284148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.284148 (E_RNA) where: Base-Base interactions energy: -9.751 where: short stacking energy: -9.751 Base-Backbone interact. energy: -0.100 local terms energy: -23.432862 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -5.158 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -5.403 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: 7, replica: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -30.820064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.820064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.820064 (E_RNA) where: Base-Base interactions energy: -8.418 where: short stacking energy: -8.418 Base-Backbone interact. energy: -0.005 local terms energy: -22.397462 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -5.169 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: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -31.352130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.352130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.352130 (E_RNA) where: Base-Base interactions energy: -10.948 where: short stacking energy: -10.948 Base-Backbone interact. energy: -0.068 local terms energy: -20.336835 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: 1.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -25.406009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.406009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.406009 (E_RNA) where: Base-Base interactions energy: -7.678 where: short stacking energy: -6.045 Base-Backbone interact. energy: -0.294 local terms energy: -17.434357 where: bonds (distance) C4'-P energy: -2.780 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -28.150390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.150390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.150390 (E_RNA) where: Base-Base interactions energy: -7.014 where: short stacking energy: -7.014 Base-Backbone interact. energy: -0.000 local terms energy: -21.136571 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -3.011 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: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -41.769268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.769268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.769268 (E_RNA) where: Base-Base interactions energy: -13.059 where: short stacking energy: -13.059 Base-Backbone interact. energy: -0.004 local terms energy: -28.706897 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -36.017618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.017618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.017618 (E_RNA) where: Base-Base interactions energy: -11.796 where: short stacking energy: -11.796 Base-Backbone interact. energy: -0.000 local terms energy: -24.221671 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -1.295 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: 3, replica: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -33.845285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845285 (E_RNA) where: Base-Base interactions energy: -11.280 where: short stacking energy: -11.280 Base-Backbone interact. energy: -0.005 local terms energy: -22.560567 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -5.776 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: 4, replica: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -32.856791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.856791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.856791 (E_RNA) where: Base-Base interactions energy: -6.638 where: short stacking energy: -6.638 Base-Backbone interact. energy: -0.020 local terms energy: -26.199495 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -5.744 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -37.113360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.113360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.113360 (E_RNA) where: Base-Base interactions energy: -15.535 where: short stacking energy: -15.535 Base-Backbone interact. energy: -0.000 local terms energy: -21.577983 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: 1.594 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: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -28.853779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.853779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.853779 (E_RNA) where: Base-Base interactions energy: -6.320 where: short stacking energy: -6.320 Base-Backbone interact. energy: -0.107 local terms energy: -22.426095 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -1.345 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: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -32.740582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.740582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.740582 (E_RNA) where: Base-Base interactions energy: -6.858 where: short stacking energy: -5.861 Base-Backbone interact. energy: -0.478 local terms energy: -25.404066 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -5.102 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: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -34.972550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.972550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.972550 (E_RNA) where: Base-Base interactions energy: -8.507 where: short stacking energy: -8.507 Base-Backbone interact. energy: -0.000 local terms energy: -26.465706 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -5.315 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: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -30.159187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.159187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.159187 (E_RNA) where: Base-Base interactions energy: -8.930 where: short stacking energy: -8.930 Base-Backbone interact. energy: -0.066 local terms energy: -21.163191 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -3.896 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: 10, replica: 3 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -39.527083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.527083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.527083 (E_RNA) where: Base-Base interactions energy: -11.064 where: short stacking energy: -11.064 Base-Backbone interact. energy: -0.000 local terms energy: -28.462730 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -35.682507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.682507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.682507 (E_RNA) where: Base-Base interactions energy: -7.578 where: short stacking energy: -7.578 Base-Backbone interact. energy: -0.073 local terms energy: -28.031636 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -4.686 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: 2, replica: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -44.112931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.112931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.112931 (E_RNA) where: Base-Base interactions energy: -14.169 where: short stacking energy: -14.169 Base-Backbone interact. energy: -0.002 local terms energy: -29.941764 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -37.638357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.638357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.638357 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.003 local terms energy: -25.750498 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -3.301 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: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -35.942962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.942962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.942962 (E_RNA) where: Base-Base interactions energy: -9.642 where: short stacking energy: -9.642 Base-Backbone interact. energy: -0.099 local terms energy: -26.201908 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -2.646 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: 5, replica: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -31.097305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.097305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.097305 (E_RNA) where: Base-Base interactions energy: -4.159 where: short stacking energy: -4.159 Base-Backbone interact. energy: -0.000 local terms energy: -26.937568 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -4.302 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: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -30.347211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.347211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.347211 (E_RNA) where: Base-Base interactions energy: -7.637 where: short stacking energy: -7.637 Base-Backbone interact. energy: -0.146 local terms energy: -22.563584 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -5.144 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: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -32.766022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.766022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.766022 (E_RNA) where: Base-Base interactions energy: -10.891 where: short stacking energy: -10.891 Base-Backbone interact. energy: -0.043 local terms energy: -21.832270 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -2.437 tors. eta vs tors. theta energy: -2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -31.492413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.492413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.492413 (E_RNA) where: Base-Base interactions energy: -8.191 where: short stacking energy: -8.191 Base-Backbone interact. energy: -0.013 local terms energy: -23.288418 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -4.468 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -4.957 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: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -27.779255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.779255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.779255 (E_RNA) where: Base-Base interactions energy: -3.977 where: short stacking energy: -3.977 Base-Backbone interact. energy: -0.027 local terms energy: -23.775875 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -3.883 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: 10, replica: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -33.412241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.412241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.412241 (E_RNA) where: Base-Base interactions energy: -11.234 where: short stacking energy: -11.234 Base-Backbone interact. energy: 0.018 local terms energy: -22.196302 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -2.560 flat angles P-C4'-P energy: -3.970 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: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -41.142694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.142694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.142694 (E_RNA) where: Base-Base interactions energy: -11.902 where: short stacking energy: -11.902 Base-Backbone interact. energy: -0.077 local terms energy: -29.163128 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -34.050542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.050542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.050542 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: -0.017 local terms energy: -26.109702 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -35.367627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.367627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.367627 (E_RNA) where: Base-Base interactions energy: -7.941 where: short stacking energy: -7.941 Base-Backbone interact. energy: -0.096 local terms energy: -27.331104 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -36.326114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.326114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.326114 (E_RNA) where: Base-Base interactions energy: -11.076 where: short stacking energy: -11.076 Base-Backbone interact. energy: -0.000 local terms energy: -25.250206 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -1.850 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: 5, replica: 10 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -35.114458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.114458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.114458 (E_RNA) where: Base-Base interactions energy: -12.016 where: short stacking energy: -12.016 Base-Backbone interact. energy: -0.001 local terms energy: -23.096990 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -31.629316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.629316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.629316 (E_RNA) where: Base-Base interactions energy: -9.646 where: short stacking energy: -8.404 Base-Backbone interact. energy: -0.030 local terms energy: -21.953177 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: 0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -31.605040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.605040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.605040 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -7.212 Base-Backbone interact. energy: -0.105 local terms energy: -24.287308 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -3.554 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: 8, replica: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -33.334669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.334669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.334669 (E_RNA) where: Base-Base interactions energy: -10.794 where: short stacking energy: -10.794 Base-Backbone interact. energy: -0.003 local terms energy: -22.537959 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -2.279 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: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -28.618067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.618067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.618067 (E_RNA) where: Base-Base interactions energy: -7.071 where: short stacking energy: -7.818 Base-Backbone interact. energy: -0.006 local terms energy: -21.540416 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -2.293 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: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -30.208988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.208988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.208988 (E_RNA) where: Base-Base interactions energy: -10.260 where: short stacking energy: -10.260 Base-Backbone interact. energy: -0.000 local terms energy: -19.948649 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -41.313197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.313197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.313197 (E_RNA) where: Base-Base interactions energy: -14.363 where: short stacking energy: -14.363 Base-Backbone interact. energy: -0.100 local terms energy: -26.849682 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -40.049090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.049090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.049090 (E_RNA) where: Base-Base interactions energy: -12.697 where: short stacking energy: -12.697 Base-Backbone interact. energy: -0.104 local terms energy: -27.247359 where: bonds (distance) C4'-P energy: -4.706 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -4.000 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: 3, replica: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -33.147449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.147449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.147449 (E_RNA) where: Base-Base interactions energy: -6.505 where: short stacking energy: -6.505 Base-Backbone interact. energy: -0.000 local terms energy: -26.642505 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -3.250 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: 4, replica: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -32.541563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.541563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.541563 (E_RNA) where: Base-Base interactions energy: -7.703 where: short stacking energy: -6.988 Base-Backbone interact. energy: 0.062 local terms energy: -24.900154 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -3.805 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: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -35.050193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.050193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.050193 (E_RNA) where: Base-Base interactions energy: -8.514 where: short stacking energy: -8.514 Base-Backbone interact. energy: -0.011 local terms energy: -26.524689 where: bonds (distance) C4'-P energy: -5.388 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -6.355 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: 6, replica: 10 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -30.855183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.855183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.855183 (E_RNA) where: Base-Base interactions energy: -7.046 where: short stacking energy: -7.046 Base-Backbone interact. energy: -0.000 local terms energy: -23.808717 where: bonds (distance) C4'-P energy: -5.367 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: 0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -32.908914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.908914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.908914 (E_RNA) where: Base-Base interactions energy: -6.505 where: short stacking energy: -6.505 Base-Backbone interact. energy: -0.343 local terms energy: -26.061181 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -4.192 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: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -32.210180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.210180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.210180 (E_RNA) where: Base-Base interactions energy: -6.677 where: short stacking energy: -6.794 Base-Backbone interact. energy: -0.000 local terms energy: -25.533175 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -4.190 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: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -30.318031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.318031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.318031 (E_RNA) where: Base-Base interactions energy: -8.562 where: short stacking energy: -8.562 Base-Backbone interact. energy: -0.086 local terms energy: -21.670277 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -4.192 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: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -25.596481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.596481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.596481 (E_RNA) where: Base-Base interactions energy: -5.157 where: short stacking energy: -5.657 Base-Backbone interact. energy: -0.082 local terms energy: -20.357755 where: bonds (distance) C4'-P energy: -3.658 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -4.158 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: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -39.698343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.698343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.698343 (E_RNA) where: Base-Base interactions energy: -11.624 where: short stacking energy: -11.624 Base-Backbone interact. energy: -0.000 local terms energy: -28.074348 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -4.846 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: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -47.404553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.404553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.404553 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -11.366 Base-Backbone interact. energy: -0.000 local terms energy: -34.392115 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -7.593 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: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -33.252707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.252707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.252707 (E_RNA) where: Base-Base interactions energy: -7.841 where: short stacking energy: -7.594 Base-Backbone interact. energy: -0.126 local terms energy: -25.285893 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -4.797 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: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -39.070762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.070762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.070762 (E_RNA) where: Base-Base interactions energy: -13.449 where: short stacking energy: -12.273 Base-Backbone interact. energy: -0.000 local terms energy: -25.621241 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -33.932121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.932121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.932121 (E_RNA) where: Base-Base interactions energy: -7.739 where: short stacking energy: -7.739 Base-Backbone interact. energy: -0.000 local terms energy: -26.192679 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -4.372 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: 6, replica: 3 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -30.725798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.725798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.725798 (E_RNA) where: Base-Base interactions energy: -7.973 where: short stacking energy: -7.973 Base-Backbone interact. energy: -0.000 local terms energy: -22.752175 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -4.134 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: 7, replica: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -36.859718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.859718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.859718 (E_RNA) where: Base-Base interactions energy: -11.753 where: short stacking energy: -11.753 Base-Backbone interact. energy: -0.010 local terms energy: -25.096326 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -31.800036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.800036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.800036 (E_RNA) where: Base-Base interactions energy: -9.431 where: short stacking energy: -9.431 Base-Backbone interact. energy: -0.043 local terms energy: -22.325643 where: bonds (distance) C4'-P energy: -4.668 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -3.942 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: 227 Temperature: 1.300000 Total energy: -29.488276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.488276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.488276 (E_RNA) where: Base-Base interactions energy: -14.651 where: short stacking energy: -14.651 Base-Backbone interact. energy: -0.004 local terms energy: -14.833672 where: bonds (distance) C4'-P energy: -4.726 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -3.269 flat angles P-C4'-P energy: -0.361 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -28.455094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.455094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.455094 (E_RNA) where: Base-Base interactions energy: -7.848 where: short stacking energy: -7.848 Base-Backbone interact. energy: -0.076 local terms energy: -20.531153 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -3.237 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -38.588703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.588703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.588703 (E_RNA) where: Base-Base interactions energy: -12.513 where: short stacking energy: -12.513 Base-Backbone interact. energy: -0.000 local terms energy: -26.075742 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -3.862 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: 2, replica: 8 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -33.424272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.424272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.424272 (E_RNA) where: Base-Base interactions energy: -9.873 where: short stacking energy: -9.873 Base-Backbone interact. energy: -0.016 local terms energy: -23.535413 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -2.147 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: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -40.773113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.773113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.773113 (E_RNA) where: Base-Base interactions energy: -12.951 where: short stacking energy: -10.859 Base-Backbone interact. energy: -0.036 local terms energy: -27.785601 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -4.925 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: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -34.095082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.095082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.095082 (E_RNA) where: Base-Base interactions energy: -8.348 where: short stacking energy: -8.348 Base-Backbone interact. energy: -0.008 local terms energy: -25.738985 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -5.356 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: 5, replica: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -31.275146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.275146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.275146 (E_RNA) where: Base-Base interactions energy: -6.332 where: short stacking energy: -4.994 Base-Backbone interact. energy: -0.080 local terms energy: -24.863160 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.381 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -33.448838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.448838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.448838 (E_RNA) where: Base-Base interactions energy: -9.903 where: short stacking energy: -9.903 Base-Backbone interact. energy: -0.104 local terms energy: -23.441053 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -4.553 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: 7, replica: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -36.764725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.764725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.764725 (E_RNA) where: Base-Base interactions energy: -9.276 where: short stacking energy: -9.276 Base-Backbone interact. energy: -0.155 local terms energy: -27.334040 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -4.280 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: 8, replica: 10 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -31.101849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.101849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.101849 (E_RNA) where: Base-Base interactions energy: -8.599 where: short stacking energy: -8.599 Base-Backbone interact. energy: -0.001 local terms energy: -22.502501 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -5.728 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -2.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -29.313522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.313522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.313522 (E_RNA) where: Base-Base interactions energy: -7.683 where: short stacking energy: -7.683 Base-Backbone interact. energy: -0.131 local terms energy: -21.499391 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.514 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -1.952 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -28.698647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.698647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.698647 (E_RNA) where: Base-Base interactions energy: -4.582 where: short stacking energy: -4.582 Base-Backbone interact. energy: -0.060 local terms energy: -24.056640 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -2.994 flat angles P-C4'-P energy: -5.086 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: 1, replica: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -42.073892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.073892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.073892 (E_RNA) where: Base-Base interactions energy: -14.217 where: short stacking energy: -14.217 Base-Backbone interact. energy: -0.000 local terms energy: -27.856927 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -4.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -36.932932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.932932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.932932 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.274 local terms energy: -29.076650 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -37.246827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.246827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.246827 (E_RNA) where: Base-Base interactions energy: -11.907 where: short stacking energy: -11.907 Base-Backbone interact. energy: -0.017 local terms energy: -25.322830 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: 0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -36.506559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.506559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.506559 (E_RNA) where: Base-Base interactions energy: -10.577 where: short stacking energy: -10.577 Base-Backbone interact. energy: -0.000 local terms energy: -25.929188 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -31.410636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.410636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.410636 (E_RNA) where: Base-Base interactions energy: -6.653 where: short stacking energy: -6.653 Base-Backbone interact. energy: -0.033 local terms energy: -24.724245 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -2.137 tors. eta vs tors. theta energy: -3.623 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: 229 Temperature: 1.150000 Total energy: -32.576547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.576547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.576547 (E_RNA) where: Base-Base interactions energy: -11.287 where: short stacking energy: -11.409 Base-Backbone interact. energy: -0.097 local terms energy: -21.192729 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -1.884 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -34.403662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403662 (E_RNA) where: Base-Base interactions energy: -14.922 where: short stacking energy: -14.922 Base-Backbone interact. energy: -0.055 local terms energy: -19.427079 where: bonds (distance) C4'-P energy: -2.528 bonds (distance) P-C4' energy: -5.906 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: 0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -30.252938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.252938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.252938 (E_RNA) where: Base-Base interactions energy: -5.480 where: short stacking energy: -5.480 Base-Backbone interact. energy: -0.000 local terms energy: -24.773241 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -0.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -27.759240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.759240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.759240 (E_RNA) where: Base-Base interactions energy: -9.129 where: short stacking energy: -8.481 Base-Backbone interact. energy: -0.077 local terms energy: -18.553001 where: bonds (distance) C4'-P energy: -2.502 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.621 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: 9 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -35.557312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.557312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.557312 (E_RNA) where: Base-Base interactions energy: -11.707 where: short stacking energy: -11.707 Base-Backbone interact. energy: -0.025 local terms energy: -23.825521 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -38.590707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.590707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.590707 (E_RNA) where: Base-Base interactions energy: -12.905 where: short stacking energy: -12.905 Base-Backbone interact. energy: -0.003 local terms energy: -25.682355 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -37.902836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.902836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.902836 (E_RNA) where: Base-Base interactions energy: -12.591 where: short stacking energy: -12.591 Base-Backbone interact. energy: -0.008 local terms energy: -25.303655 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -3.259 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: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -35.704027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.704027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.704027 (E_RNA) where: Base-Base interactions energy: -10.591 where: short stacking energy: -10.591 Base-Backbone interact. energy: -0.013 local terms energy: -25.099659 where: bonds (distance) C4'-P energy: -4.456 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -38.938853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.938853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.938853 (E_RNA) where: Base-Base interactions energy: -11.461 where: short stacking energy: -11.461 Base-Backbone interact. energy: -0.074 local terms energy: -27.403969 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -5.588 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: 5, replica: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -39.341347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.341347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.341347 (E_RNA) where: Base-Base interactions energy: -10.609 where: short stacking energy: -10.609 Base-Backbone interact. energy: -0.071 local terms energy: -28.661848 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -5.588 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: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -31.424183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.424183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.424183 (E_RNA) where: Base-Base interactions energy: -9.325 where: short stacking energy: -9.325 Base-Backbone interact. energy: -0.000 local terms energy: -22.098836 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -3.311 flat angles P-C4'-P energy: -1.613 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: 7, replica: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -31.167966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.167966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.167966 (E_RNA) where: Base-Base interactions energy: -6.360 where: short stacking energy: -6.360 Base-Backbone interact. energy: -0.054 local terms energy: -24.754015 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -0.878 tors. eta vs tors. theta energy: -4.180 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: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -30.237771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.237771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.237771 (E_RNA) where: Base-Base interactions energy: -6.779 where: short stacking energy: -6.779 Base-Backbone interact. energy: -0.025 local terms energy: -23.433471 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.826 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: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -29.607852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.607852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.607852 (E_RNA) where: Base-Base interactions energy: -7.691 where: short stacking energy: -7.691 Base-Backbone interact. energy: -0.235 local terms energy: -21.681825 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -2.203 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: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -29.454329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.454329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.454329 (E_RNA) where: Base-Base interactions energy: -3.457 where: short stacking energy: -3.457 Base-Backbone interact. energy: 0.259 local terms energy: -26.255751 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -5.783 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: 1, replica: 2 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -44.474517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.474517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.474517 (E_RNA) where: Base-Base interactions energy: -13.829 where: short stacking energy: -13.829 Base-Backbone interact. energy: -0.000 local terms energy: -30.645684 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -5.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -34.476910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.476910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.476910 (E_RNA) where: Base-Base interactions energy: -12.110 where: short stacking energy: -7.542 Base-Backbone interact. energy: -0.126 local terms energy: -22.240889 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: 2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -37.622108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.622108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.622108 (E_RNA) where: Base-Base interactions energy: -10.098 where: short stacking energy: -9.455 Base-Backbone interact. energy: -0.062 local terms energy: -27.462482 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -5.194 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: 4, replica: 1 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -35.313139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.313139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.313139 (E_RNA) where: Base-Base interactions energy: -6.545 where: short stacking energy: -6.545 Base-Backbone interact. energy: -0.007 local terms energy: -28.761385 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -5.767 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: 5, replica: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -34.950623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.950623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.950623 (E_RNA) where: Base-Base interactions energy: -8.069 where: short stacking energy: -8.069 Base-Backbone interact. energy: -0.044 local terms energy: -26.837401 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -5.247 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: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -31.210292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.210292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.210292 (E_RNA) where: Base-Base interactions energy: -10.802 where: short stacking energy: -10.802 Base-Backbone interact. energy: -0.000 local terms energy: -20.408025 where: bonds (distance) C4'-P energy: -2.610 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.017 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: 7, replica: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -33.554575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.554575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.554575 (E_RNA) where: Base-Base interactions energy: -10.938 where: short stacking energy: -9.157 Base-Backbone interact. energy: -0.155 local terms energy: -22.461709 where: bonds (distance) C4'-P energy: -4.414 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -4.373 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: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -32.268133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.268133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.268133 (E_RNA) where: Base-Base interactions energy: -10.182 where: short stacking energy: -10.182 Base-Backbone interact. energy: -0.001 local terms energy: -22.085813 where: bonds (distance) C4'-P energy: -3.587 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -5.289 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: 9, replica: 6 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -26.108312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.108312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.108312 (E_RNA) where: Base-Base interactions energy: -4.228 where: short stacking energy: -4.228 Base-Backbone interact. energy: -0.078 local terms energy: -21.802094 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: 0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -30.201632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.201632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.201632 (E_RNA) where: Base-Base interactions energy: -9.162 where: short stacking energy: -9.330 Base-Backbone interact. energy: -0.000 local terms energy: -21.039142 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -4.930 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -43.036421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.036421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.036421 (E_RNA) where: Base-Base interactions energy: -13.942 where: short stacking energy: -13.942 Base-Backbone interact. energy: -0.001 local terms energy: -29.093682 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -36.768781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.768781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.768781 (E_RNA) where: Base-Base interactions energy: -10.409 where: short stacking energy: -10.601 Base-Backbone interact. energy: -0.015 local terms energy: -26.345194 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -33.538248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.538248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.538248 (E_RNA) where: Base-Base interactions energy: -7.468 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.016 local terms energy: -26.054586 where: bonds (distance) C4'-P energy: -3.914 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -4.680 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: 4, replica: 5 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -38.410013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.410013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.410013 (E_RNA) where: Base-Base interactions energy: -10.950 where: short stacking energy: -10.950 Base-Backbone interact. energy: -0.095 local terms energy: -27.365310 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -31.968465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.968465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.968465 (E_RNA) where: Base-Base interactions energy: -7.321 where: short stacking energy: -7.321 Base-Backbone interact. energy: -0.006 local terms energy: -24.640970 where: bonds (distance) C4'-P energy: -5.782 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -3.378 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: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -37.824080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.824080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.824080 (E_RNA) where: Base-Base interactions energy: -14.312 where: short stacking energy: -14.312 Base-Backbone interact. energy: -0.000 local terms energy: -23.511600 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -3.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -31.669402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.669402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.669402 (E_RNA) where: Base-Base interactions energy: -17.032 where: short stacking energy: -9.929 Base-Backbone interact. energy: -0.220 local terms energy: -14.417321 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: 1.131 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -27.601482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.601482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.601482 (E_RNA) where: Base-Base interactions energy: -7.013 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.034 local terms energy: -20.554729 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -3.184 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -3.620 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: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -32.337139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.337139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.337139 (E_RNA) where: Base-Base interactions energy: -7.180 where: short stacking energy: -7.180 Base-Backbone interact. energy: -0.046 local terms energy: -25.110611 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -31.339388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.339388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.339388 (E_RNA) where: Base-Base interactions energy: -10.536 where: short stacking energy: -10.536 Base-Backbone interact. energy: -0.196 local terms energy: -20.608153 where: bonds (distance) C4'-P energy: -4.449 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -45.690783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.690783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.690783 (E_RNA) where: Base-Base interactions energy: -13.072 where: short stacking energy: -13.072 Base-Backbone interact. energy: -0.000 local terms energy: -32.618189 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -6.834 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: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -35.514121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.514121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.514121 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.034 local terms energy: -24.094818 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -2.852 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -4.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -36.123838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.123838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.123838 (E_RNA) where: Base-Base interactions energy: -11.944 where: short stacking energy: -11.944 Base-Backbone interact. energy: -0.070 local terms energy: -24.110365 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -3.861 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: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -42.253822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.253822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.253822 (E_RNA) where: Base-Base interactions energy: -15.755 where: short stacking energy: -15.755 Base-Backbone interact. energy: -0.001 local terms energy: -26.497488 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -5.912 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: 5, replica: 5 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -30.810289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.810289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.810289 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.020 local terms energy: -20.365866 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -3.349 flat angles P-C4'-P energy: -2.445 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -30.683472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.683472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.683472 (E_RNA) where: Base-Base interactions energy: -9.447 where: short stacking energy: -9.447 Base-Backbone interact. energy: -0.000 local terms energy: -21.236287 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -5.487 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -1.483 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -29.648907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.648907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.648907 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.012 local terms energy: -19.637754 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -1.411 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: 8, replica: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -29.730448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.730448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.730448 (E_RNA) where: Base-Base interactions energy: -7.132 where: short stacking energy: -7.132 Base-Backbone interact. energy: -0.259 local terms energy: -22.339697 where: bonds (distance) C4'-P energy: -5.533 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -4.633 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: 4 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -29.505364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.505364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.505364 (E_RNA) where: Base-Base interactions energy: -3.879 where: short stacking energy: -3.879 Base-Backbone interact. energy: -0.001 local terms energy: -25.625533 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -1.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -29.481963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.481963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.481963 (E_RNA) where: Base-Base interactions energy: -9.894 where: short stacking energy: -9.894 Base-Backbone interact. energy: -0.004 local terms energy: -19.584011 where: bonds (distance) C4'-P energy: -3.852 bonds (distance) P-C4' energy: -4.627 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -4.388 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: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -40.677966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.677966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.677966 (E_RNA) where: Base-Base interactions energy: -14.083 where: short stacking energy: -14.083 Base-Backbone interact. energy: -0.000 local terms energy: -26.595134 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -4.961 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: 2, replica: 2 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -40.514907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.514907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.514907 (E_RNA) where: Base-Base interactions energy: -14.278 where: short stacking energy: -14.278 Base-Backbone interact. energy: -0.003 local terms energy: -26.233831 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -4.653 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: 234 Temperature: 1.000000 Total energy: -43.329347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.329347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.329347 (E_RNA) where: Base-Base interactions energy: -13.358 where: short stacking energy: -10.129 Base-Backbone interact. energy: -0.002 local terms energy: -29.969956 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -6.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -35.334218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.334218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.334218 (E_RNA) where: Base-Base interactions energy: -11.925 where: short stacking energy: -11.925 Base-Backbone interact. energy: -0.000 local terms energy: -23.409497 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: 0.288 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: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -33.490285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.490285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.490285 (E_RNA) where: Base-Base interactions energy: -10.159 where: short stacking energy: -10.159 Base-Backbone interact. energy: -0.019 local terms energy: -23.312668 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -32.923539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.923539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.923539 (E_RNA) where: Base-Base interactions energy: -11.102 where: short stacking energy: -11.102 Base-Backbone interact. energy: -0.010 local terms energy: -21.811927 where: bonds (distance) C4'-P energy: -4.333 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -26.749459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.749459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.749459 (E_RNA) where: Base-Base interactions energy: -2.299 where: short stacking energy: -2.299 Base-Backbone interact. energy: -0.101 local terms energy: -24.349498 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -5.065 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: 8, replica: 8 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -31.880139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.880139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.880139 (E_RNA) where: Base-Base interactions energy: -7.885 where: short stacking energy: -7.885 Base-Backbone interact. energy: -0.014 local terms energy: -23.981406 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -5.227 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: 9, replica: 10 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -30.805999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.805999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.805999 (E_RNA) where: Base-Base interactions energy: -5.033 where: short stacking energy: -5.604 Base-Backbone interact. energy: -0.077 local terms energy: -25.696602 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -3.779 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: 10, replica: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -29.861235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.861235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.861235 (E_RNA) where: Base-Base interactions energy: -5.288 where: short stacking energy: -5.288 Base-Backbone interact. energy: 0.098 local terms energy: -24.671511 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -5.957 tors. eta vs tors. theta energy: 1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -37.953710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.953710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.953710 (E_RNA) where: Base-Base interactions energy: -10.639 where: short stacking energy: -10.639 Base-Backbone interact. energy: -0.013 local terms energy: -27.301913 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -5.284 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: 2, replica: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -38.176507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.176507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.176507 (E_RNA) where: Base-Base interactions energy: -11.572 where: short stacking energy: -11.572 Base-Backbone interact. energy: -0.002 local terms energy: -26.603140 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -1.108 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: 3, replica: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -37.647201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.647201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.647201 (E_RNA) where: Base-Base interactions energy: -12.179 where: short stacking energy: -12.179 Base-Backbone interact. energy: -0.015 local terms energy: -25.453022 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -5.257 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: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -33.634289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.634289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.634289 (E_RNA) where: Base-Base interactions energy: -7.557 where: short stacking energy: -7.557 Base-Backbone interact. energy: -1.116 local terms energy: -24.961097 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -4.919 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: 5, replica: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -31.805455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.805455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.805455 (E_RNA) where: Base-Base interactions energy: -7.539 where: short stacking energy: -7.539 Base-Backbone interact. energy: -0.000 local terms energy: -24.266860 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -3.733 flat angles P-C4'-P energy: -3.553 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -34.792153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.792153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.792153 (E_RNA) where: Base-Base interactions energy: -9.410 where: short stacking energy: -9.410 Base-Backbone interact. energy: -0.000 local terms energy: -25.382139 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -4.359 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: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -30.843598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.843598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.843598 (E_RNA) where: Base-Base interactions energy: -7.844 where: short stacking energy: -7.844 Base-Backbone interact. energy: -0.000 local terms energy: -22.999350 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -4.053 flat angles P-C4'-P energy: -5.409 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: 8, replica: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -29.157507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.157507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.157507 (E_RNA) where: Base-Base interactions energy: -7.934 where: short stacking energy: -7.934 Base-Backbone interact. energy: -0.113 local terms energy: -21.110444 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -2.808 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -26.546344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.546344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.546344 (E_RNA) where: Base-Base interactions energy: -6.313 where: short stacking energy: -6.313 Base-Backbone interact. energy: -0.001 local terms energy: -20.232225 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -1.868 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: 10, replica: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -30.988090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.988090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.988090 (E_RNA) where: Base-Base interactions energy: -7.971 where: short stacking energy: -7.971 Base-Backbone interact. energy: -0.075 local terms energy: -22.942181 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -1.690 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: 7 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -37.475372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.475372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.475372 (E_RNA) where: Base-Base interactions energy: -11.768 where: short stacking energy: -11.768 Base-Backbone interact. energy: -0.000 local terms energy: -25.706954 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -1.197 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -41.480507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.480507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.480507 (E_RNA) where: Base-Base interactions energy: -11.481 where: short stacking energy: -10.164 Base-Backbone interact. energy: -1.058 local terms energy: -28.941055 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -37.637041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.637041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.637041 (E_RNA) where: Base-Base interactions energy: -11.409 where: short stacking energy: -11.409 Base-Backbone interact. energy: -0.001 local terms energy: -26.227981 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -34.285640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.285640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.285640 (E_RNA) where: Base-Base interactions energy: -11.299 where: short stacking energy: -11.299 Base-Backbone interact. energy: -0.018 local terms energy: -22.969379 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -5.170 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: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -37.038356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.038356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.038356 (E_RNA) where: Base-Base interactions energy: -8.827 where: short stacking energy: -8.827 Base-Backbone interact. energy: -0.002 local terms energy: -28.208825 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -32.033902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.033902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.033902 (E_RNA) where: Base-Base interactions energy: -5.141 where: short stacking energy: -5.141 Base-Backbone interact. energy: -0.014 local terms energy: -26.879591 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -4.201 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: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -29.967588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.967588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.967588 (E_RNA) where: Base-Base interactions energy: -11.306 where: short stacking energy: -11.306 Base-Backbone interact. energy: -0.001 local terms energy: -18.661015 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: 0.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -28.012533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.012533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.012533 (E_RNA) where: Base-Base interactions energy: -7.647 where: short stacking energy: -5.223 Base-Backbone interact. energy: -0.046 local terms energy: -20.319275 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.278 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: 1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -30.535216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.535216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.535216 (E_RNA) where: Base-Base interactions energy: -8.215 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.083 local terms energy: -22.237391 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -3.775 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: 10, replica: 8 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -31.633349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.633349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.633349 (E_RNA) where: Base-Base interactions energy: -10.025 where: short stacking energy: -9.010 Base-Backbone interact. energy: 4.774 local terms energy: -26.382413 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -5.278 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: 7 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -41.502773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.502773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.502773 (E_RNA) where: Base-Base interactions energy: -13.353 where: short stacking energy: -13.353 Base-Backbone interact. energy: -0.000 local terms energy: -28.149285 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -3.457 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: 2, replica: 9 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -39.538406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.538406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.538406 (E_RNA) where: Base-Base interactions energy: -15.001 where: short stacking energy: -15.001 Base-Backbone interact. energy: -0.054 local terms energy: -24.483638 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -40.337585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.337585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.337585 (E_RNA) where: Base-Base interactions energy: -13.887 where: short stacking energy: -13.887 Base-Backbone interact. energy: -0.076 local terms energy: -26.374861 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -3.400 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -4.515 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: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -34.228183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.228183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.228183 (E_RNA) where: Base-Base interactions energy: -8.453 where: short stacking energy: -8.453 Base-Backbone interact. energy: -0.107 local terms energy: -25.667577 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: 0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -39.310939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.310939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.310939 (E_RNA) where: Base-Base interactions energy: -14.157 where: short stacking energy: -14.157 Base-Backbone interact. energy: -0.000 local terms energy: -25.153659 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -31.550488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.550488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.550488 (E_RNA) where: Base-Base interactions energy: -6.380 where: short stacking energy: -6.380 Base-Backbone interact. energy: -0.010 local terms energy: -25.160755 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -4.336 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: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -33.341092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.341092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.341092 (E_RNA) where: Base-Base interactions energy: -7.052 where: short stacking energy: -7.052 Base-Backbone interact. energy: -0.140 local terms energy: -26.149515 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -1.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -27.299130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.299130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.299130 (E_RNA) where: Base-Base interactions energy: -5.917 where: short stacking energy: -5.072 Base-Backbone interact. energy: -0.025 local terms energy: -21.357048 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -3.699 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: 9, replica: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -30.128801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.128801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.128801 (E_RNA) where: Base-Base interactions energy: -3.727 where: short stacking energy: -3.727 Base-Backbone interact. energy: -0.025 local terms energy: -26.377043 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -5.068 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: 10, replica: 8 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -30.710703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.710703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.710703 (E_RNA) where: Base-Base interactions energy: -11.662 where: short stacking energy: -11.662 Base-Backbone interact. energy: -0.000 local terms energy: -19.048205 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -4.272 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -4.060 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: 238 Temperature: 0.900000 Total energy: -36.772930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.772930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.772930 (E_RNA) where: Base-Base interactions energy: -10.145 where: short stacking energy: -10.145 Base-Backbone interact. energy: -0.017 local terms energy: -26.610815 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.462 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -3.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -36.751507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.751507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.751507 (E_RNA) where: Base-Base interactions energy: -11.533 where: short stacking energy: -11.533 Base-Backbone interact. energy: -0.000 local terms energy: -25.218025 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -5.158 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: 3, replica: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -37.049307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.049307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.049307 (E_RNA) where: Base-Base interactions energy: -11.448 where: short stacking energy: -10.202 Base-Backbone interact. energy: -0.100 local terms energy: -25.501552 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -38.809788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.809788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.809788 (E_RNA) where: Base-Base interactions energy: -15.306 where: short stacking energy: -12.610 Base-Backbone interact. energy: -0.007 local terms energy: -23.497408 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -4.048 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: 5, replica: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -35.683838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.683838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.683838 (E_RNA) where: Base-Base interactions energy: -8.357 where: short stacking energy: -8.357 Base-Backbone interact. energy: -0.067 local terms energy: -27.259255 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -5.789 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: 6, replica: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -39.455810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.455810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.455810 (E_RNA) where: Base-Base interactions energy: -11.566 where: short stacking energy: -11.566 Base-Backbone interact. energy: -0.000 local terms energy: -27.889110 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -33.131263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.131263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.131263 (E_RNA) where: Base-Base interactions energy: -7.813 where: short stacking energy: -7.813 Base-Backbone interact. energy: -0.003 local terms energy: -25.315027 where: bonds (distance) C4'-P energy: -4.879 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -5.786 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: 8, replica: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -31.281147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.281147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.281147 (E_RNA) where: Base-Base interactions energy: -6.419 where: short stacking energy: -6.419 Base-Backbone interact. energy: -0.058 local terms energy: -24.804114 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: 1.632 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: 8 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -27.990762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.990762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.990762 (E_RNA) where: Base-Base interactions energy: -6.496 where: short stacking energy: -6.496 Base-Backbone interact. energy: -0.044 local terms energy: -21.451277 where: bonds (distance) C4'-P energy: -3.906 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -5.185 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: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -30.312783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.312783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.312783 (E_RNA) where: Base-Base interactions energy: -5.696 where: short stacking energy: -5.696 Base-Backbone interact. energy: -0.095 local terms energy: -24.521693 where: bonds (distance) C4'-P energy: -4.565 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: 0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -40.338134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.338134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.338134 (E_RNA) where: Base-Base interactions energy: -10.688 where: short stacking energy: -10.688 Base-Backbone interact. energy: -0.019 local terms energy: -29.630836 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -5.315 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: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -41.808524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.808524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.808524 (E_RNA) where: Base-Base interactions energy: -13.754 where: short stacking energy: -13.754 Base-Backbone interact. energy: -0.026 local terms energy: -28.027908 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -4.703 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -6.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -37.649506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.649506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.649506 (E_RNA) where: Base-Base interactions energy: -8.991 where: short stacking energy: -8.991 Base-Backbone interact. energy: -0.914 local terms energy: -27.744280 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -5.346 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: 4, replica: 10 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -35.390163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.390163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.390163 (E_RNA) where: Base-Base interactions energy: -9.564 where: short stacking energy: -9.564 Base-Backbone interact. energy: -0.000 local terms energy: -25.825732 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.632 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: 5, replica: 3 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -29.117320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.117320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.117320 (E_RNA) where: Base-Base interactions energy: -6.217 where: short stacking energy: -6.217 Base-Backbone interact. energy: -0.027 local terms energy: -22.873388 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -3.768 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: 2 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -33.553636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.553636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.553636 (E_RNA) where: Base-Base interactions energy: -10.897 where: short stacking energy: -10.997 Base-Backbone interact. energy: -0.001 local terms energy: -22.655888 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -27.800687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.800687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.800687 (E_RNA) where: Base-Base interactions energy: -6.641 where: short stacking energy: -6.641 Base-Backbone interact. energy: -0.024 local terms energy: -21.135694 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -3.034 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -5.889 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: 8, replica: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -31.070585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.070585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.070585 (E_RNA) where: Base-Base interactions energy: -7.768 where: short stacking energy: -7.768 Base-Backbone interact. energy: -0.000 local terms energy: -23.301951 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -3.311 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: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -28.863206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.863206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.863206 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -2.794 Base-Backbone interact. energy: 0.157 local terms energy: -21.096453 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: 1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -29.481585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.481585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.481585 (E_RNA) where: Base-Base interactions energy: -6.128 where: short stacking energy: -6.128 Base-Backbone interact. energy: -0.000 local terms energy: -23.353242 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -3.768 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: 240 Temperature: 0.900000 Total energy: -39.838559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.838559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.838559 (E_RNA) where: Base-Base interactions energy: -14.371 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.085 local terms energy: -25.382198 where: bonds (distance) C4'-P energy: -4.323 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.577 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: 2, replica: 9 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -40.927799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.927799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.927799 (E_RNA) where: Base-Base interactions energy: -11.915 where: short stacking energy: -11.915 Base-Backbone interact. energy: -0.002 local terms energy: -29.010886 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -5.852 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: 3, replica: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -36.443774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.443774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.443774 (E_RNA) where: Base-Base interactions energy: -11.170 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.123 local terms energy: -25.150581 where: bonds (distance) C4'-P energy: -3.728 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -4.088 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: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -36.871797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.871797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.871797 (E_RNA) where: Base-Base interactions energy: -11.098 where: short stacking energy: -11.098 Base-Backbone interact. energy: -0.066 local terms energy: -25.706880 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -37.036105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.036105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.036105 (E_RNA) where: Base-Base interactions energy: -12.917 where: short stacking energy: -12.917 Base-Backbone interact. energy: -0.000 local terms energy: -24.119320 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -3.675 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: 6, replica: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -33.264180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.264180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.264180 (E_RNA) where: Base-Base interactions energy: -9.526 where: short stacking energy: -6.397 Base-Backbone interact. energy: -0.218 local terms energy: -23.520152 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -2.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -29.286077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.286077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.286077 (E_RNA) where: Base-Base interactions energy: -6.811 where: short stacking energy: -6.811 Base-Backbone interact. energy: -0.067 local terms energy: -22.408410 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -0.097 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: 8, replica: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -31.045833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.045833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.045833 (E_RNA) where: Base-Base interactions energy: -9.454 where: short stacking energy: -9.454 Base-Backbone interact. energy: -0.000 local terms energy: -21.591448 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -2.422 tors. eta vs tors. theta energy: -3.866 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: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -33.941849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.941849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.941849 (E_RNA) where: Base-Base interactions energy: -6.804 where: short stacking energy: -6.804 Base-Backbone interact. energy: -0.000 local terms energy: -27.138151 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -3.932 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: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -28.934485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.934485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.934485 (E_RNA) where: Base-Base interactions energy: -7.799 where: short stacking energy: -7.799 Base-Backbone interact. energy: -0.007 local terms energy: -21.128604 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: 0.152 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: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -40.146469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.146469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.146469 (E_RNA) where: Base-Base interactions energy: -12.599 where: short stacking energy: -9.466 Base-Backbone interact. energy: -0.020 local terms energy: -27.526884 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -33.126606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.126606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.126606 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.032 local terms energy: -25.891207 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -5.327 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: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -32.307683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.307683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.307683 (E_RNA) where: Base-Base interactions energy: -7.024 where: short stacking energy: -7.024 Base-Backbone interact. energy: -0.004 local terms energy: -25.280032 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -4.421 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: 2 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -34.578162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.578162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.578162 (E_RNA) where: Base-Base interactions energy: -11.066 where: short stacking energy: -11.066 Base-Backbone interact. energy: -0.070 local terms energy: -23.442512 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -5.672 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: 5, replica: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -34.187587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.187587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.187587 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.016 local terms energy: -26.449376 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -5.901 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: 6, replica: 8 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -34.697836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.697836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.697836 (E_RNA) where: Base-Base interactions energy: -6.991 where: short stacking energy: -6.991 Base-Backbone interact. energy: -0.000 local terms energy: -27.707195 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -5.070 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: 7, replica: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -28.381160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.381160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.381160 (E_RNA) where: Base-Base interactions energy: -4.541 where: short stacking energy: -4.541 Base-Backbone interact. energy: -0.001 local terms energy: -23.839340 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -5.142 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: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -34.525019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.525019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.525019 (E_RNA) where: Base-Base interactions energy: -7.228 where: short stacking energy: -7.228 Base-Backbone interact. energy: -0.000 local terms energy: -27.297182 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -4.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -32.641685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.641685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.641685 (E_RNA) where: Base-Base interactions energy: -10.576 where: short stacking energy: -10.576 Base-Backbone interact. energy: -0.102 local terms energy: -21.964275 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -0.323 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: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -30.353689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.353689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.353689 (E_RNA) where: Base-Base interactions energy: -8.784 where: short stacking energy: -8.784 Base-Backbone interact. energy: -0.001 local terms energy: -21.568819 where: bonds (distance) C4'-P energy: -4.237 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -39.195876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.195876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.195876 (E_RNA) where: Base-Base interactions energy: -11.972 where: short stacking energy: -11.972 Base-Backbone interact. energy: -0.062 local terms energy: -27.161605 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -3.259 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: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -34.401615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.401615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.401615 (E_RNA) where: Base-Base interactions energy: -11.666 where: short stacking energy: -7.413 Base-Backbone interact. energy: -0.003 local terms energy: -22.732367 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -4.104 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: 3, replica: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -35.270235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.270235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.270235 (E_RNA) where: Base-Base interactions energy: -11.518 where: short stacking energy: -11.518 Base-Backbone interact. energy: -0.000 local terms energy: -23.752282 where: bonds (distance) C4'-P energy: -4.622 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -36.431348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.431348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.431348 (E_RNA) where: Base-Base interactions energy: -11.436 where: short stacking energy: -11.436 Base-Backbone interact. energy: -0.012 local terms energy: -24.983424 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -2.089 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: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -36.094107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.094107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.094107 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -7.889 Base-Backbone interact. energy: -0.756 local terms energy: -27.449245 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -32.535249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.535249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.535249 (E_RNA) where: Base-Base interactions energy: -11.115 where: short stacking energy: -11.115 Base-Backbone interact. energy: -0.000 local terms energy: -21.420083 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -2.631 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: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -32.941188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.941188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.941188 (E_RNA) where: Base-Base interactions energy: -9.987 where: short stacking energy: -9.987 Base-Backbone interact. energy: -0.000 local terms energy: -22.953901 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -2.916 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: 8, replica: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -35.448460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.448460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.448460 (E_RNA) where: Base-Base interactions energy: -10.350 where: short stacking energy: -10.350 Base-Backbone interact. energy: -0.000 local terms energy: -25.098436 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -3.913 flat angles P-C4'-P energy: -2.026 tors. eta vs tors. theta energy: -6.441 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: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -28.521408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.521408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.521408 (E_RNA) where: Base-Base interactions energy: -8.234 where: short stacking energy: -8.234 Base-Backbone interact. energy: -0.001 local terms energy: -20.286550 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -2.405 flat angles P-C4'-P energy: -1.601 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: 10, replica: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -31.833670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.833670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.833670 (E_RNA) where: Base-Base interactions energy: -7.742 where: short stacking energy: -7.742 Base-Backbone interact. energy: -0.048 local terms energy: -24.043394 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.556 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -39.475995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.475995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.475995 (E_RNA) where: Base-Base interactions energy: -11.253 where: short stacking energy: -11.221 Base-Backbone interact. energy: -0.001 local terms energy: -28.222041 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -5.081 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: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -32.586339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.586339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.586339 (E_RNA) where: Base-Base interactions energy: -6.778 where: short stacking energy: -6.778 Base-Backbone interact. energy: -0.000 local terms energy: -25.808270 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -5.555 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: 3, replica: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -32.695672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.695672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.695672 (E_RNA) where: Base-Base interactions energy: -7.257 where: short stacking energy: -7.257 Base-Backbone interact. energy: 0.360 local terms energy: -25.798068 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -32.054979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.054979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.054979 (E_RNA) where: Base-Base interactions energy: -7.193 where: short stacking energy: -7.193 Base-Backbone interact. energy: -0.013 local terms energy: -24.849050 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -2.537 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: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -34.950704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.950704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.950704 (E_RNA) where: Base-Base interactions energy: -7.598 where: short stacking energy: -7.598 Base-Backbone interact. energy: -0.000 local terms energy: -27.352542 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -32.714167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.714167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.714167 (E_RNA) where: Base-Base interactions energy: -7.837 where: short stacking energy: -7.837 Base-Backbone interact. energy: -0.007 local terms energy: -24.870245 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -4.088 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: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -34.141944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.141944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.141944 (E_RNA) where: Base-Base interactions energy: -8.414 where: short stacking energy: -7.529 Base-Backbone interact. energy: -0.000 local terms energy: -25.727991 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -2.948 tors. eta vs tors. theta energy: -6.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -32.148948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.148948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.148948 (E_RNA) where: Base-Base interactions energy: -9.952 where: short stacking energy: -9.952 Base-Backbone interact. energy: -0.055 local terms energy: -22.142236 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -4.476 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -4.109 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: 9, replica: 3 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -28.677074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.677074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.677074 (E_RNA) where: Base-Base interactions energy: -4.334 where: short stacking energy: -4.334 Base-Backbone interact. energy: -0.002 local terms energy: -24.340795 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.443 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -5.930 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: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -32.431190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.431190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.431190 (E_RNA) where: Base-Base interactions energy: -6.112 where: short stacking energy: -6.112 Base-Backbone interact. energy: -0.013 local terms energy: -26.306156 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.416 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: 1, replica: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -40.073328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.073328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.073328 (E_RNA) where: Base-Base interactions energy: -12.383 where: short stacking energy: -12.383 Base-Backbone interact. energy: -0.114 local terms energy: -27.576551 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -5.722 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: 2, replica: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -35.976826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.976826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.976826 (E_RNA) where: Base-Base interactions energy: -9.074 where: short stacking energy: -9.074 Base-Backbone interact. energy: -0.001 local terms energy: -26.901982 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -32.467638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.467638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.467638 (E_RNA) where: Base-Base interactions energy: -7.234 where: short stacking energy: -7.234 Base-Backbone interact. energy: -0.003 local terms energy: -25.230004 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -30.288582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.288582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.288582 (E_RNA) where: Base-Base interactions energy: -5.901 where: short stacking energy: -5.901 Base-Backbone interact. energy: -0.925 local terms energy: -23.462620 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -3.108 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: 5, replica: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -35.778135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.778135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.778135 (E_RNA) where: Base-Base interactions energy: -13.377 where: short stacking energy: -13.377 Base-Backbone interact. energy: -0.258 local terms energy: -22.142616 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -4.799 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -1.328 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: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -29.729606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.729606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.729606 (E_RNA) where: Base-Base interactions energy: -7.168 where: short stacking energy: -7.015 Base-Backbone interact. energy: -0.024 local terms energy: -22.537171 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -33.738807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.738807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.738807 (E_RNA) where: Base-Base interactions energy: -10.287 where: short stacking energy: -10.287 Base-Backbone interact. energy: 0.164 local terms energy: -23.615851 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -2.105 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: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -31.251987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.251987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.251987 (E_RNA) where: Base-Base interactions energy: -10.135 where: short stacking energy: -10.135 Base-Backbone interact. energy: -0.008 local terms energy: -21.108961 where: bonds (distance) C4'-P energy: -4.059 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -2.374 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: 4 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -33.427262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.427262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.427262 (E_RNA) where: Base-Base interactions energy: -12.241 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.000 local terms energy: -21.186430 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -0.746 flat angles P-C4'-P energy: -3.571 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: 10, replica: 3 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -28.238485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.238485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.238485 (E_RNA) where: Base-Base interactions energy: -7.719 where: short stacking energy: -7.719 Base-Backbone interact. energy: -0.002 local terms energy: -20.517950 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -3.794 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: 1, replica: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -41.330716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.330716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.330716 (E_RNA) where: Base-Base interactions energy: -14.023 where: short stacking energy: -14.023 Base-Backbone interact. energy: -0.002 local terms energy: -27.305412 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -37.529755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.529755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.529755 (E_RNA) where: Base-Base interactions energy: -10.955 where: short stacking energy: -10.955 Base-Backbone interact. energy: -0.000 local terms energy: -26.574778 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -40.275862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.275862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.275862 (E_RNA) where: Base-Base interactions energy: -12.800 where: short stacking energy: -11.212 Base-Backbone interact. energy: -0.004 local terms energy: -27.472476 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -34.167681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.167681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.167681 (E_RNA) where: Base-Base interactions energy: -11.499 where: short stacking energy: -11.499 Base-Backbone interact. energy: -0.002 local terms energy: -22.666151 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -0.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -37.196147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.196147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.196147 (E_RNA) where: Base-Base interactions energy: -5.694 where: short stacking energy: -3.608 Base-Backbone interact. energy: -1.055 local terms energy: -30.447183 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -6.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -31.265093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.265093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.265093 (E_RNA) where: Base-Base interactions energy: -8.649 where: short stacking energy: -8.649 Base-Backbone interact. energy: -0.015 local terms energy: -22.601151 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.906 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -2.352 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -34.495321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.495321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.495321 (E_RNA) where: Base-Base interactions energy: -6.934 where: short stacking energy: -6.934 Base-Backbone interact. energy: 0.031 local terms energy: -27.592122 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -2.724 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: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -31.740167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.740167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.740167 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -5.656 Base-Backbone interact. energy: -0.004 local terms energy: -26.080120 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -4.112 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -4.988 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: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -27.176201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.176201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.176201 (E_RNA) where: Base-Base interactions energy: -5.814 where: short stacking energy: -5.814 Base-Backbone interact. energy: -0.021 local terms energy: -21.341023 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -1.568 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: 10, replica: 3 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -34.604122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.604122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.604122 (E_RNA) where: Base-Base interactions energy: -9.818 where: short stacking energy: -6.659 Base-Backbone interact. energy: -0.178 local terms energy: -24.607672 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -3.556 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: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -35.962179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.962179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.962179 (E_RNA) where: Base-Base interactions energy: -10.767 where: short stacking energy: -10.767 Base-Backbone interact. energy: -0.169 local terms energy: -25.026809 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -4.446 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: 2, replica: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -38.107436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.107436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.107436 (E_RNA) where: Base-Base interactions energy: -12.642 where: short stacking energy: -12.642 Base-Backbone interact. energy: -0.023 local terms energy: -25.442539 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -1.775 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: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -33.935263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.935263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.935263 (E_RNA) where: Base-Base interactions energy: -9.903 where: short stacking energy: -9.903 Base-Backbone interact. energy: -0.034 local terms energy: -23.997751 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -3.035 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -32.872972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.872972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.872972 (E_RNA) where: Base-Base interactions energy: -7.584 where: short stacking energy: -7.584 Base-Backbone interact. energy: 0.145 local terms energy: -25.434010 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -5.221 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: 5, replica: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -32.664106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.664106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.664106 (E_RNA) where: Base-Base interactions energy: -4.297 where: short stacking energy: -4.297 Base-Backbone interact. energy: -0.000 local terms energy: -28.367374 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -33.804224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.804224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.804224 (E_RNA) where: Base-Base interactions energy: -7.433 where: short stacking energy: -7.433 Base-Backbone interact. energy: -0.102 local terms energy: -26.269763 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -5.379 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: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -31.575200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.575200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.575200 (E_RNA) where: Base-Base interactions energy: -8.980 where: short stacking energy: -8.980 Base-Backbone interact. energy: -0.021 local terms energy: -22.573911 where: bonds (distance) C4'-P energy: -5.963 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -3.882 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: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -31.051750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.051750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.051750 (E_RNA) where: Base-Base interactions energy: -5.669 where: short stacking energy: -5.669 Base-Backbone interact. energy: -0.045 local terms energy: -25.337737 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -33.275290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.275290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.275290 (E_RNA) where: Base-Base interactions energy: -9.781 where: short stacking energy: -9.781 Base-Backbone interact. energy: -0.020 local terms energy: -23.474095 where: bonds (distance) C4'-P energy: -5.496 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -3.494 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: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -27.349660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.349660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.349660 (E_RNA) where: Base-Base interactions energy: -4.885 where: short stacking energy: -4.885 Base-Backbone interact. energy: -0.000 local terms energy: -22.465016 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -5.674 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: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -41.766319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.766319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.766319 (E_RNA) where: Base-Base interactions energy: -16.057 where: short stacking energy: -16.057 Base-Backbone interact. energy: -0.003 local terms energy: -25.706020 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -3.244 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: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -33.905724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.905724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.905724 (E_RNA) where: Base-Base interactions energy: -10.578 where: short stacking energy: -7.488 Base-Backbone interact. energy: -0.082 local terms energy: -23.245368 where: bonds (distance) C4'-P energy: -6.717 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -33.672933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.672933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.672933 (E_RNA) where: Base-Base interactions energy: -7.795 where: short stacking energy: -7.713 Base-Backbone interact. energy: 0.773 local terms energy: -26.650223 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -33.594450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.594450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.594450 (E_RNA) where: Base-Base interactions energy: -10.528 where: short stacking energy: -10.528 Base-Backbone interact. energy: -0.002 local terms energy: -23.064611 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -1.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -30.585260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.585260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.585260 (E_RNA) where: Base-Base interactions energy: -3.915 where: short stacking energy: -3.915 Base-Backbone interact. energy: -0.004 local terms energy: -26.665811 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: 0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -31.964123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.964123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.964123 (E_RNA) where: Base-Base interactions energy: -9.842 where: short stacking energy: -9.842 Base-Backbone interact. energy: -0.033 local terms energy: -22.088420 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -4.810 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: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -32.838315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.838315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.838315 (E_RNA) where: Base-Base interactions energy: -11.628 where: short stacking energy: -11.628 Base-Backbone interact. energy: -0.186 local terms energy: -21.024770 where: bonds (distance) C4'-P energy: -4.370 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: 0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -35.368405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.368405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.368405 (E_RNA) where: Base-Base interactions energy: -8.469 where: short stacking energy: -8.338 Base-Backbone interact. energy: -0.246 local terms energy: -26.653671 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -4.372 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: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -27.266339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.266339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.266339 (E_RNA) where: Base-Base interactions energy: -3.491 where: short stacking energy: -3.491 Base-Backbone interact. energy: -0.006 local terms energy: -23.769577 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -4.371 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -3.985 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: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -30.674502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.674502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.674502 (E_RNA) where: Base-Base interactions energy: -7.640 where: short stacking energy: -7.640 Base-Backbone interact. energy: -0.001 local terms energy: -23.033840 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -4.164 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: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -40.079580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.079580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.079580 (E_RNA) where: Base-Base interactions energy: -12.209 where: short stacking energy: -12.209 Base-Backbone interact. energy: -0.008 local terms energy: -27.862366 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -5.113 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: 2, replica: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -41.876666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.876666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.876666 (E_RNA) where: Base-Base interactions energy: -12.293 where: short stacking energy: -12.293 Base-Backbone interact. energy: -0.002 local terms energy: -29.580981 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -5.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -34.337524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.337524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.337524 (E_RNA) where: Base-Base interactions energy: -10.418 where: short stacking energy: -10.418 Base-Backbone interact. energy: -0.000 local terms energy: -23.919647 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -3.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -35.888833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.888833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.888833 (E_RNA) where: Base-Base interactions energy: -10.672 where: short stacking energy: -10.672 Base-Backbone interact. energy: -0.000 local terms energy: -25.216477 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -4.527 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: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -35.488114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.488114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.488114 (E_RNA) where: Base-Base interactions energy: -10.826 where: short stacking energy: -10.826 Base-Backbone interact. energy: -0.001 local terms energy: -24.661108 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -5.193 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: 6, replica: 10 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -33.094908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.094908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.094908 (E_RNA) where: Base-Base interactions energy: -5.113 where: short stacking energy: -5.113 Base-Backbone interact. energy: -0.002 local terms energy: -27.980255 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -4.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -28.994215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.994215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.994215 (E_RNA) where: Base-Base interactions energy: -6.070 where: short stacking energy: -6.070 Base-Backbone interact. energy: -0.056 local terms energy: -22.867667 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -2.899 flat angles P-C4'-P energy: -5.531 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: 8, replica: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -27.295044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.295044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.295044 (E_RNA) where: Base-Base interactions energy: -5.903 where: short stacking energy: -5.903 Base-Backbone interact. energy: -0.192 local terms energy: -21.199402 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -1.699 flat angles P-C4'-P energy: -5.213 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: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -29.154509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.154509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.154509 (E_RNA) where: Base-Base interactions energy: -5.806 where: short stacking energy: -5.806 Base-Backbone interact. energy: -0.001 local terms energy: -23.347800 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -29.780827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.780827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.780827 (E_RNA) where: Base-Base interactions energy: -7.033 where: short stacking energy: -7.033 Base-Backbone interact. energy: -0.002 local terms energy: -22.746341 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -5.032 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -4.778 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: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -44.578619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.578619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.578619 (E_RNA) where: Base-Base interactions energy: -14.685 where: short stacking energy: -14.685 Base-Backbone interact. energy: -0.000 local terms energy: -29.893919 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -4.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -40.937336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.937336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.937336 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.022 local terms energy: -30.230792 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -41.476265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.476265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.476265 (E_RNA) where: Base-Base interactions energy: -11.353 where: short stacking energy: -11.353 Base-Backbone interact. energy: -0.110 local terms energy: -30.013039 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -5.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -32.484108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.484108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.484108 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.029 local terms energy: -21.771102 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -1.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -34.232322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.232322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.232322 (E_RNA) where: Base-Base interactions energy: -6.598 where: short stacking energy: -6.598 Base-Backbone interact. energy: -0.025 local terms energy: -27.609640 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: -3.298 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: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -33.497984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.497984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.497984 (E_RNA) where: Base-Base interactions energy: -8.768 where: short stacking energy: -8.768 Base-Backbone interact. energy: -0.098 local terms energy: -24.632257 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -4.523 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: 10 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -30.551575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.551575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.551575 (E_RNA) where: Base-Base interactions energy: -11.769 where: short stacking energy: -11.769 Base-Backbone interact. energy: -0.000 local terms energy: -18.782260 where: bonds (distance) C4'-P energy: -3.915 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -0.791 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -29.949575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.949575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.949575 (E_RNA) where: Base-Base interactions energy: -2.970 where: short stacking energy: -2.970 Base-Backbone interact. energy: -0.023 local terms energy: -26.957049 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -4.688 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: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -30.887193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.887193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.887193 (E_RNA) where: Base-Base interactions energy: -8.249 where: short stacking energy: -8.249 Base-Backbone interact. energy: -0.006 local terms energy: -22.632300 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -5.424 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -6.058 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: 10, replica: 9 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -26.733321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.733321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.733321 (E_RNA) where: Base-Base interactions energy: -3.549 where: short stacking energy: -3.549 Base-Backbone interact. energy: -0.011 local terms energy: -23.172504 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.514 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: 1, replica: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -38.649868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.649868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.649868 (E_RNA) where: Base-Base interactions energy: -12.244 where: short stacking energy: -12.244 Base-Backbone interact. energy: -0.081 local terms energy: -26.325282 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.268 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -36.156433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.156433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.156433 (E_RNA) where: Base-Base interactions energy: -11.702 where: short stacking energy: -10.423 Base-Backbone interact. energy: 1.129 local terms energy: -25.584119 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -36.862746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.862746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.862746 (E_RNA) where: Base-Base interactions energy: -11.335 where: short stacking energy: -11.335 Base-Backbone interact. energy: -0.072 local terms energy: -25.456267 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -5.166 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: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -36.360599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.360599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.360599 (E_RNA) where: Base-Base interactions energy: -9.743 where: short stacking energy: -9.743 Base-Backbone interact. energy: -0.013 local terms energy: -26.604066 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -2.732 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: 5, replica: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -44.485248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.485248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.485248 (E_RNA) where: Base-Base interactions energy: -13.850 where: short stacking energy: -13.850 Base-Backbone interact. energy: -0.001 local terms energy: -30.634992 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -5.164 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: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -35.232910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.232910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.232910 (E_RNA) where: Base-Base interactions energy: -11.197 where: short stacking energy: -11.197 Base-Backbone interact. energy: -0.619 local terms energy: -23.417552 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -30.564000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.564000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.564000 (E_RNA) where: Base-Base interactions energy: -7.243 where: short stacking energy: -7.243 Base-Backbone interact. energy: -0.000 local terms energy: -23.320936 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -4.412 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: 250 Temperature: 1.250000 Total energy: -27.136461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.136461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.136461 (E_RNA) where: Base-Base interactions energy: -3.296 where: short stacking energy: -3.296 Base-Backbone interact. energy: -0.003 local terms energy: -23.837881 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -4.582 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: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -30.670858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.670858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.670858 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -3.569 Base-Backbone interact. energy: -0.004 local terms energy: -23.009857 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -30.098371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.098371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.098371 (E_RNA) where: Base-Base interactions energy: -9.744 where: short stacking energy: -9.744 Base-Backbone interact. energy: -0.097 local terms energy: -20.258142 where: bonds (distance) C4'-P energy: -4.162 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -3.796 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: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -35.893319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.893319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.893319 (E_RNA) where: Base-Base interactions energy: -9.819 where: short stacking energy: -9.819 Base-Backbone interact. energy: -0.068 local terms energy: -26.006875 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -4.830 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: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -36.795700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.795700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.795700 (E_RNA) where: Base-Base interactions energy: -13.180 where: short stacking energy: -11.928 Base-Backbone interact. energy: 0.008 local terms energy: -23.624099 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -1.750 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -32.724967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.724967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.724967 (E_RNA) where: Base-Base interactions energy: -10.487 where: short stacking energy: -10.487 Base-Backbone interact. energy: -0.000 local terms energy: -22.237894 where: bonds (distance) C4'-P energy: -5.339 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -4.079 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: 251 Temperature: 1.050000 Total energy: -38.102325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.102325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.102325 (E_RNA) where: Base-Base interactions energy: -11.760 where: short stacking energy: -11.760 Base-Backbone interact. energy: -0.061 local terms energy: -26.281637 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -5.015 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: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -32.704316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.704316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.704316 (E_RNA) where: Base-Base interactions energy: -7.881 where: short stacking energy: -7.881 Base-Backbone interact. energy: -0.922 local terms energy: -23.901284 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -30.247887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.247887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.247887 (E_RNA) where: Base-Base interactions energy: -7.764 where: short stacking energy: -7.764 Base-Backbone interact. energy: -0.071 local terms energy: -22.412922 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -3.601 flat angles P-C4'-P energy: -4.592 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: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -30.696931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.696931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.696931 (E_RNA) where: Base-Base interactions energy: -6.791 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.000 local terms energy: -23.906097 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -4.657 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: 8, replica: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -27.863136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.863136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.863136 (E_RNA) where: Base-Base interactions energy: -4.351 where: short stacking energy: -4.351 Base-Backbone interact. energy: -0.009 local terms energy: -23.502866 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -31.236623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.236623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.236623 (E_RNA) where: Base-Base interactions energy: -10.608 where: short stacking energy: -10.608 Base-Backbone interact. energy: 0.855 local terms energy: -21.483843 where: bonds (distance) C4'-P energy: -4.751 bonds (distance) P-C4' energy: -3.498 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -30.478028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.478028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.478028 (E_RNA) where: Base-Base interactions energy: -8.270 where: short stacking energy: -8.235 Base-Backbone interact. energy: -0.004 local terms energy: -22.204059 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -36.550215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.550215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.550215 (E_RNA) where: Base-Base interactions energy: -9.290 where: short stacking energy: -9.290 Base-Backbone interact. energy: -0.004 local terms energy: -27.255891 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -4.237 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: 2, replica: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -30.273807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.273807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.273807 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.003 local terms energy: -22.450490 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -2.567 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: 3, replica: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -36.897264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.897264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.897264 (E_RNA) where: Base-Base interactions energy: -9.953 where: short stacking energy: -9.948 Base-Backbone interact. energy: -0.100 local terms energy: -26.844311 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -5.150 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: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -34.226891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.226891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.226891 (E_RNA) where: Base-Base interactions energy: -7.538 where: short stacking energy: -7.538 Base-Backbone interact. energy: -0.026 local terms energy: -26.662140 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -34.189624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.189624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.189624 (E_RNA) where: Base-Base interactions energy: -9.384 where: short stacking energy: -9.384 Base-Backbone interact. energy: 0.048 local terms energy: -24.854311 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.548 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: 6, replica: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -32.796077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.796077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.796077 (E_RNA) where: Base-Base interactions energy: -11.377 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.196 local terms energy: -21.223810 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -0.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -30.364744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.364744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.364744 (E_RNA) where: Base-Base interactions energy: -9.197 where: short stacking energy: -9.197 Base-Backbone interact. energy: -0.060 local terms energy: -21.107732 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -3.237 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: 8, replica: 4 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -31.059613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.059613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.059613 (E_RNA) where: Base-Base interactions energy: -3.302 where: short stacking energy: -3.302 Base-Backbone interact. energy: -0.287 local terms energy: -27.470604 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -6.118 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: 9, replica: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -26.762291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.762291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.762291 (E_RNA) where: Base-Base interactions energy: -2.653 where: short stacking energy: -2.653 Base-Backbone interact. energy: -0.090 local terms energy: -24.019336 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: 0.300 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: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -29.025379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.025379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.025379 (E_RNA) where: Base-Base interactions energy: -6.018 where: short stacking energy: -6.018 Base-Backbone interact. energy: -0.000 local terms energy: -23.006884 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.381 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: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -36.755134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.755134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.755134 (E_RNA) where: Base-Base interactions energy: -11.271 where: short stacking energy: -11.271 Base-Backbone interact. energy: -0.000 local terms energy: -25.484093 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -44.297829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.297829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.297829 (E_RNA) where: Base-Base interactions energy: -12.584 where: short stacking energy: -12.584 Base-Backbone interact. energy: -0.000 local terms energy: -31.713871 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -6.267 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -7.232 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: 2 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -44.501517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.501517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.501517 (E_RNA) where: Base-Base interactions energy: -13.881 where: short stacking energy: -13.881 Base-Backbone interact. energy: -0.000 local terms energy: -30.620301 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -6.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -36.666375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.666375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.666375 (E_RNA) where: Base-Base interactions energy: -11.574 where: short stacking energy: -11.574 Base-Backbone interact. energy: -0.000 local terms energy: -25.092805 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.354 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: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -36.656325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.656325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.656325 (E_RNA) where: Base-Base interactions energy: -10.396 where: short stacking energy: -10.396 Base-Backbone interact. energy: -0.001 local terms energy: -26.258806 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -32.485542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.485542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.485542 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.010 local terms energy: -24.375592 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -5.053 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -31.357192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.357192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.357192 (E_RNA) where: Base-Base interactions energy: -5.760 where: short stacking energy: -5.760 Base-Backbone interact. energy: -0.003 local terms energy: -25.594103 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -1.300 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: 8, replica: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -33.044319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.044319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.044319 (E_RNA) where: Base-Base interactions energy: -10.821 where: short stacking energy: -10.821 Base-Backbone interact. energy: -0.000 local terms energy: -22.223191 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: 0.655 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -26.879120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.879120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.879120 (E_RNA) where: Base-Base interactions energy: -3.139 where: short stacking energy: -3.139 Base-Backbone interact. energy: -0.025 local terms energy: -23.715172 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -3.066 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: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -30.973072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.973072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.973072 (E_RNA) where: Base-Base interactions energy: -7.713 where: short stacking energy: -7.713 Base-Backbone interact. energy: -0.101 local terms energy: -23.159027 where: bonds (distance) C4'-P energy: -5.433 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: 0.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -40.862733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.862733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.862733 (E_RNA) where: Base-Base interactions energy: -9.715 where: short stacking energy: -9.715 Base-Backbone interact. energy: -0.002 local terms energy: -31.146082 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -5.125 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -36.993952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.993952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.993952 (E_RNA) where: Base-Base interactions energy: -9.201 where: short stacking energy: -9.201 Base-Backbone interact. energy: -0.087 local terms energy: -27.706201 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -4.985 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: 3, replica: 1 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -34.929386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.929386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.929386 (E_RNA) where: Base-Base interactions energy: -8.848 where: short stacking energy: -8.848 Base-Backbone interact. energy: -0.000 local terms energy: -26.081492 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.555 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: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -36.240262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.240262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.240262 (E_RNA) where: Base-Base interactions energy: -7.226 where: short stacking energy: -7.226 Base-Backbone interact. energy: -0.001 local terms energy: -29.013326 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -7.165 flat angles P-C4'-P energy: -5.927 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: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -32.980860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.980860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.980860 (E_RNA) where: Base-Base interactions energy: -10.222 where: short stacking energy: -10.222 Base-Backbone interact. energy: -0.217 local terms energy: -22.541864 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -2.537 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: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -28.872123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.872123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.872123 (E_RNA) where: Base-Base interactions energy: -7.043 where: short stacking energy: -7.043 Base-Backbone interact. energy: -0.191 local terms energy: -21.638103 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -4.629 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: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -32.661768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.661768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.661768 (E_RNA) where: Base-Base interactions energy: -6.581 where: short stacking energy: -6.581 Base-Backbone interact. energy: -0.116 local terms energy: -25.964991 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -4.827 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: 8, replica: 8 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -31.453894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.453894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.453894 (E_RNA) where: Base-Base interactions energy: -5.723 where: short stacking energy: -5.723 Base-Backbone interact. energy: -0.163 local terms energy: -25.567764 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -31.441043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.441043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.441043 (E_RNA) where: Base-Base interactions energy: -6.349 where: short stacking energy: -6.349 Base-Backbone interact. energy: -0.107 local terms energy: -24.985900 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -26.577822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.577822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.577822 (E_RNA) where: Base-Base interactions energy: -1.860 where: short stacking energy: -1.860 Base-Backbone interact. energy: -0.297 local terms energy: -24.420634 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -4.548 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: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -39.407599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.407599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.407599 (E_RNA) where: Base-Base interactions energy: -14.102 where: short stacking energy: -14.102 Base-Backbone interact. energy: -0.000 local terms energy: -25.305490 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -3.436 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -4.315 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: 2, replica: 1 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -33.324283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.324283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.324283 (E_RNA) where: Base-Base interactions energy: -8.415 where: short stacking energy: -8.415 Base-Backbone interact. energy: -0.076 local terms energy: -24.832576 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -3.629 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: 3, replica: 6 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -33.260652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.260652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.260652 (E_RNA) where: Base-Base interactions energy: -9.935 where: short stacking energy: -9.935 Base-Backbone interact. energy: -0.100 local terms energy: -23.226233 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -38.395721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.395721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.395721 (E_RNA) where: Base-Base interactions energy: -8.080 where: short stacking energy: -8.080 Base-Backbone interact. energy: -0.002 local terms energy: -30.314022 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -6.291 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: 5, replica: 2 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -32.991429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.991429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.991429 (E_RNA) where: Base-Base interactions energy: -9.125 where: short stacking energy: -9.125 Base-Backbone interact. energy: -0.091 local terms energy: -23.775931 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -5.135 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: 7 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -32.757963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.757963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.757963 (E_RNA) where: Base-Base interactions energy: -6.365 where: short stacking energy: -6.365 Base-Backbone interact. energy: -0.003 local terms energy: -26.390242 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -1.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -37.398952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.398952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.398952 (E_RNA) where: Base-Base interactions energy: -10.365 where: short stacking energy: -10.365 Base-Backbone interact. energy: -0.082 local terms energy: -26.951960 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -5.050 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: 8, replica: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -28.566385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.566385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.566385 (E_RNA) where: Base-Base interactions energy: -8.101 where: short stacking energy: -8.101 Base-Backbone interact. energy: -0.384 local terms energy: -20.081892 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -2.565 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: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -27.683992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.683992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.683992 (E_RNA) where: Base-Base interactions energy: -6.941 where: short stacking energy: -6.941 Base-Backbone interact. energy: -0.014 local terms energy: -20.728358 where: bonds (distance) C4'-P energy: -4.100 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -2.522 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -26.446149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.446149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.446149 (E_RNA) where: Base-Base interactions energy: -7.429 where: short stacking energy: -7.429 Base-Backbone interact. energy: -0.005 local terms energy: -19.012216 where: bonds (distance) C4'-P energy: -1.484 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -1.370 tors. eta vs tors. theta energy: -2.279 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: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -43.690013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.690013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.690013 (E_RNA) where: Base-Base interactions energy: -11.110 where: short stacking energy: -11.110 Base-Backbone interact. energy: -0.081 local terms energy: -32.498807 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -6.164 tors. eta vs tors. theta energy: -6.108 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: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -37.642156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.642156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.642156 (E_RNA) where: Base-Base interactions energy: -12.603 where: short stacking energy: -12.603 Base-Backbone interact. energy: -0.043 local terms energy: -24.996263 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.200 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: 0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -33.502200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.502200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.502200 (E_RNA) where: Base-Base interactions energy: -6.522 where: short stacking energy: -6.522 Base-Backbone interact. energy: -0.057 local terms energy: -26.923692 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -5.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -34.235456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.235456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.235456 (E_RNA) where: Base-Base interactions energy: -10.878 where: short stacking energy: -11.278 Base-Backbone interact. energy: -0.000 local terms energy: -23.356747 where: bonds (distance) C4'-P energy: -3.401 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -4.274 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: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -33.679843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.679843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.679843 (E_RNA) where: Base-Base interactions energy: -6.140 where: short stacking energy: -5.380 Base-Backbone interact. energy: -0.114 local terms energy: -27.425625 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -32.700655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.700655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.700655 (E_RNA) where: Base-Base interactions energy: -5.134 where: short stacking energy: -5.134 Base-Backbone interact. energy: -0.000 local terms energy: -27.567031 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -4.628 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: 7, replica: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -26.923181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.923181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.923181 (E_RNA) where: Base-Base interactions energy: -6.548 where: short stacking energy: -6.548 Base-Backbone interact. energy: -0.004 local terms energy: -20.371298 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -1.950 tors. eta vs tors. theta energy: -1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -28.744342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.744342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.744342 (E_RNA) where: Base-Base interactions energy: -8.806 where: short stacking energy: -5.389 Base-Backbone interact. energy: -0.118 local terms energy: -19.820326 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -4.047 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: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -31.365824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.365824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.365824 (E_RNA) where: Base-Base interactions energy: -10.756 where: short stacking energy: -10.756 Base-Backbone interact. energy: 0.007 local terms energy: -20.617004 where: bonds (distance) C4'-P energy: -3.940 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -2.668 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: 10, replica: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -28.596775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.596775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.596775 (E_RNA) where: Base-Base interactions energy: -6.718 where: short stacking energy: -6.718 Base-Backbone interact. energy: -0.177 local terms energy: -21.701093 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -1.716 tors. eta vs tors. theta energy: -0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -43.124964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.124964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.124964 (E_RNA) where: Base-Base interactions energy: -12.943 where: short stacking energy: -12.943 Base-Backbone interact. energy: -0.015 local terms energy: -30.166336 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -35.774283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.774283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.774283 (E_RNA) where: Base-Base interactions energy: -7.904 where: short stacking energy: -7.904 Base-Backbone interact. energy: -0.001 local terms energy: -27.868563 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -5.641 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: 3, replica: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -36.153735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.153735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.153735 (E_RNA) where: Base-Base interactions energy: -12.021 where: short stacking energy: -12.021 Base-Backbone interact. energy: -0.000 local terms energy: -24.132764 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -2.102 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: 4, replica: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -36.533102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.533102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.533102 (E_RNA) where: Base-Base interactions energy: -11.206 where: short stacking energy: -11.206 Base-Backbone interact. energy: -0.006 local terms energy: -25.321422 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -33.307840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.307840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.307840 (E_RNA) where: Base-Base interactions energy: -8.502 where: short stacking energy: -8.550 Base-Backbone interact. energy: -0.202 local terms energy: -24.603910 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -32.350153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.350153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.350153 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.002 local terms energy: -22.407400 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -37.945089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.945089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.945089 (E_RNA) where: Base-Base interactions energy: -11.094 where: short stacking energy: -11.094 Base-Backbone interact. energy: -0.037 local terms energy: -26.814167 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -2.080 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -26.448122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.448122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.448122 (E_RNA) where: Base-Base interactions energy: -3.150 where: short stacking energy: -3.150 Base-Backbone interact. energy: -0.017 local terms energy: -23.281561 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: 1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -32.331645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.331645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.331645 (E_RNA) where: Base-Base interactions energy: -4.532 where: short stacking energy: -5.642 Base-Backbone interact. energy: -0.028 local terms energy: -27.771953 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -31.049759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.049759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.049759 (E_RNA) where: Base-Base interactions energy: -9.206 where: short stacking energy: -9.314 Base-Backbone interact. energy: -0.047 local terms energy: -21.797026 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -3.093 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -35.591642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.591642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.591642 (E_RNA) where: Base-Base interactions energy: -7.908 where: short stacking energy: -7.908 Base-Backbone interact. energy: -0.000 local terms energy: -27.683030 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -4.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -42.195222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.195222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.195222 (E_RNA) where: Base-Base interactions energy: -14.343 where: short stacking energy: -14.343 Base-Backbone interact. energy: -0.000 local terms energy: -27.852180 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -3.584 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: 3, replica: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -39.826144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.826144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.826144 (E_RNA) where: Base-Base interactions energy: -13.543 where: short stacking energy: -13.543 Base-Backbone interact. energy: -0.000 local terms energy: -26.283060 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -35.766996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.766996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.766996 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.000 local terms energy: -25.342376 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -5.026 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -3.832 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: 10 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -34.626195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.626195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.626195 (E_RNA) where: Base-Base interactions energy: -12.434 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.034 local terms energy: -22.157575 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -4.396 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: 6, replica: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -31.688774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.688774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.688774 (E_RNA) where: Base-Base interactions energy: -6.414 where: short stacking energy: -6.272 Base-Backbone interact. energy: -0.018 local terms energy: -25.256608 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -6.043 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: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -31.280475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.280475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.280475 (E_RNA) where: Base-Base interactions energy: -7.086 where: short stacking energy: -5.449 Base-Backbone interact. energy: -0.018 local terms energy: -24.176255 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -3.908 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: 8, replica: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -25.823236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.823236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.823236 (E_RNA) where: Base-Base interactions energy: -3.265 where: short stacking energy: -3.265 Base-Backbone interact. energy: -0.063 local terms energy: -22.495608 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: 1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -30.637470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.637470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.637470 (E_RNA) where: Base-Base interactions energy: -6.952 where: short stacking energy: -6.952 Base-Backbone interact. energy: -0.046 local terms energy: -23.639926 where: bonds (distance) C4'-P energy: -4.478 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -29.930522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.930522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.930522 (E_RNA) where: Base-Base interactions energy: -6.386 where: short stacking energy: -6.386 Base-Backbone interact. energy: -0.000 local terms energy: -23.544707 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -2.270 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -36.759880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.759880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.759880 (E_RNA) where: Base-Base interactions energy: -10.891 where: short stacking energy: -10.891 Base-Backbone interact. energy: -0.852 local terms energy: -25.017289 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -34.309443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.309443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.309443 (E_RNA) where: Base-Base interactions energy: -12.000 where: short stacking energy: -12.000 Base-Backbone interact. energy: -0.005 local terms energy: -22.304296 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.980 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -4.394 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: 3, replica: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -38.702102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.702102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.702102 (E_RNA) where: Base-Base interactions energy: -12.332 where: short stacking energy: -12.332 Base-Backbone interact. energy: -0.020 local terms energy: -26.350580 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -5.546 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: 4, replica: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -32.897916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.897916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.897916 (E_RNA) where: Base-Base interactions energy: -11.459 where: short stacking energy: -11.459 Base-Backbone interact. energy: -0.010 local terms energy: -21.428477 where: bonds (distance) C4'-P energy: -3.222 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: 0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -38.562823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.562823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.562823 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.001 local terms energy: -28.562869 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -4.320 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: 6, replica: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -34.942633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.942633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.942633 (E_RNA) where: Base-Base interactions energy: -11.358 where: short stacking energy: -11.358 Base-Backbone interact. energy: -0.063 local terms energy: -23.521838 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -29.703920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.703920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.703920 (E_RNA) where: Base-Base interactions energy: -5.108 where: short stacking energy: -5.108 Base-Backbone interact. energy: -0.046 local terms energy: -24.549838 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -5.172 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: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -30.850066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.850066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.850066 (E_RNA) where: Base-Base interactions energy: -5.824 where: short stacking energy: -5.824 Base-Backbone interact. energy: -0.002 local terms energy: -25.023828 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -5.071 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: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -27.870673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.870673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.870673 (E_RNA) where: Base-Base interactions energy: -6.929 where: short stacking energy: -5.856 Base-Backbone interact. energy: -0.091 local terms energy: -20.850833 where: bonds (distance) C4'-P energy: -3.806 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -3.613 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: 10, replica: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -27.570838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.570838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.570838 (E_RNA) where: Base-Base interactions energy: -6.879 where: short stacking energy: -6.879 Base-Backbone interact. energy: -0.091 local terms energy: -20.600929 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -4.266 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: 1, replica: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -35.246935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.246935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.246935 (E_RNA) where: Base-Base interactions energy: -11.518 where: short stacking energy: -11.554 Base-Backbone interact. energy: -0.027 local terms energy: -23.702163 where: bonds (distance) C4'-P energy: -3.650 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -5.078 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: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -35.872187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.872187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.872187 (E_RNA) where: Base-Base interactions energy: -10.599 where: short stacking energy: -10.599 Base-Backbone interact. energy: -0.001 local terms energy: -25.272657 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -5.094 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: 3, replica: 10 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -35.618837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.618837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.618837 (E_RNA) where: Base-Base interactions energy: -11.878 where: short stacking energy: -11.878 Base-Backbone interact. energy: -0.126 local terms energy: -23.614388 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -3.455 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: 4, replica: 1 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -34.858394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.858394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.858394 (E_RNA) where: Base-Base interactions energy: -7.644 where: short stacking energy: -7.644 Base-Backbone interact. energy: -0.004 local terms energy: -27.210557 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -33.990834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.990834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.990834 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.014 local terms energy: -25.406533 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -33.960319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.960319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.960319 (E_RNA) where: Base-Base interactions energy: -9.965 where: short stacking energy: -9.965 Base-Backbone interact. energy: -0.081 local terms energy: -23.914162 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -2.539 flat angles P-C4'-P energy: -1.390 tors. eta vs tors. theta energy: -6.700 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: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -36.238176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.238176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.238176 (E_RNA) where: Base-Base interactions energy: -9.080 where: short stacking energy: -9.080 Base-Backbone interact. energy: -0.007 local terms energy: -27.151040 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -30.065711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.065711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.065711 (E_RNA) where: Base-Base interactions energy: -7.971 where: short stacking energy: -7.971 Base-Backbone interact. energy: -0.061 local terms energy: -22.034062 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -2.079 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -33.338928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.338928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.338928 (E_RNA) where: Base-Base interactions energy: -11.308 where: short stacking energy: -11.308 Base-Backbone interact. energy: -0.001 local terms energy: -22.029405 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -2.920 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -30.292271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.292271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.292271 (E_RNA) where: Base-Base interactions energy: -3.400 where: short stacking energy: -3.400 Base-Backbone interact. energy: -0.114 local terms energy: -26.778686 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -4.890 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: 1, replica: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -35.294461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.294461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.294461 (E_RNA) where: Base-Base interactions energy: -11.100 where: short stacking energy: -11.100 Base-Backbone interact. energy: -0.001 local terms energy: -24.194186 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -2.175 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: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -38.863046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.863046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.863046 (E_RNA) where: Base-Base interactions energy: -9.934 where: short stacking energy: -9.934 Base-Backbone interact. energy: -0.000 local terms energy: -28.928436 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -6.350 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: 3, replica: 10 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -34.328905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.328905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.328905 (E_RNA) where: Base-Base interactions energy: -11.022 where: short stacking energy: -11.022 Base-Backbone interact. energy: -0.044 local terms energy: -23.262712 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -5.252 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: 4, replica: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -38.569816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.569816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.569816 (E_RNA) where: Base-Base interactions energy: -11.779 where: short stacking energy: -8.336 Base-Backbone interact. energy: 0.455 local terms energy: -27.245537 where: bonds (distance) C4'-P energy: -5.136 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.709 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: 5, replica: 1 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -30.585447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.585447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.585447 (E_RNA) where: Base-Base interactions energy: -6.908 where: short stacking energy: -7.078 Base-Backbone interact. energy: -0.193 local terms energy: -23.484926 where: bonds (distance) C4'-P energy: -4.692 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -5.431 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: 261 Temperature: 1.150000 Total energy: -31.361044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.361044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.361044 (E_RNA) where: Base-Base interactions energy: -5.091 where: short stacking energy: -3.451 Base-Backbone interact. energy: -0.184 local terms energy: -26.086342 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -5.199 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: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -29.290837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.290837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.290837 (E_RNA) where: Base-Base interactions energy: -7.037 where: short stacking energy: -7.237 Base-Backbone interact. energy: 0.296 local terms energy: -22.550419 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -3.284 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: 8, replica: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -32.827640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.827640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.827640 (E_RNA) where: Base-Base interactions energy: -12.282 where: short stacking energy: -12.282 Base-Backbone interact. energy: -0.013 local terms energy: -20.532177 where: bonds (distance) C4'-P energy: -4.340 bonds (distance) P-C4' energy: -4.307 flat angles C4'-P-C4' energy: -2.511 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -28.474525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.474525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.474525 (E_RNA) where: Base-Base interactions energy: -3.898 where: short stacking energy: -4.585 Base-Backbone interact. energy: -0.177 local terms energy: -24.399909 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -3.231 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: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -26.588766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.588766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.588766 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.001 local terms energy: -20.027645 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -41.293030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.293030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.293030 (E_RNA) where: Base-Base interactions energy: -11.756 where: short stacking energy: -11.335 Base-Backbone interact. energy: -0.598 local terms energy: -28.939064 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -4.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -39.215067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.215067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.215067 (E_RNA) where: Base-Base interactions energy: -11.064 where: short stacking energy: -11.064 Base-Backbone interact. energy: -0.002 local terms energy: -28.149527 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -4.851 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: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -35.814833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.814833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.814833 (E_RNA) where: Base-Base interactions energy: -10.175 where: short stacking energy: -10.175 Base-Backbone interact. energy: 0.492 local terms energy: -26.131560 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -4.461 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: 4, replica: 10 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -33.150449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.150449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.150449 (E_RNA) where: Base-Base interactions energy: -7.089 where: short stacking energy: -7.089 Base-Backbone interact. energy: -0.025 local terms energy: -26.036201 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -5.590 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: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -34.510372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.510372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.510372 (E_RNA) where: Base-Base interactions energy: -7.161 where: short stacking energy: -7.161 Base-Backbone interact. energy: -0.037 local terms energy: -27.312433 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -37.033079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.033079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.033079 (E_RNA) where: Base-Base interactions energy: -11.830 where: short stacking energy: -11.830 Base-Backbone interact. energy: -0.029 local terms energy: -25.174229 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -2.254 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -28.222859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.222859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.222859 (E_RNA) where: Base-Base interactions energy: -6.604 where: short stacking energy: -6.604 Base-Backbone interact. energy: -0.084 local terms energy: -21.535132 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -2.815 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: 8, replica: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -28.084686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.084686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.084686 (E_RNA) where: Base-Base interactions energy: -3.522 where: short stacking energy: -3.352 Base-Backbone interact. energy: -0.091 local terms energy: -24.472028 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -0.170 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: 262 Temperature: 1.300000 Total energy: -33.899920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.899920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.899920 (E_RNA) where: Base-Base interactions energy: -9.812 where: short stacking energy: -9.812 Base-Backbone interact. energy: 0.069 local terms energy: -24.156894 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -5.296 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: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -26.267944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.267944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.267944 (E_RNA) where: Base-Base interactions energy: -3.265 where: short stacking energy: -3.265 Base-Backbone interact. energy: -0.610 local terms energy: -22.392189 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -5.227 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: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -40.066597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.066597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.066597 (E_RNA) where: Base-Base interactions energy: -14.174 where: short stacking energy: -14.174 Base-Backbone interact. energy: -0.016 local terms energy: -25.876551 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -4.366 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: 263 Temperature: 0.950000 Total energy: -38.646037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.646037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.646037 (E_RNA) where: Base-Base interactions energy: -9.914 where: short stacking energy: -9.914 Base-Backbone interact. energy: 0.013 local terms energy: -28.744395 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -5.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -39.766761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.766761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.766761 (E_RNA) where: Base-Base interactions energy: -9.723 where: short stacking energy: -9.723 Base-Backbone interact. energy: -0.001 local terms energy: -30.042829 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -37.647626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.647626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.647626 (E_RNA) where: Base-Base interactions energy: -10.869 where: short stacking energy: -10.869 Base-Backbone interact. energy: -0.000 local terms energy: -26.777991 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -3.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -38.835466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.835466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.835466 (E_RNA) where: Base-Base interactions energy: -11.795 where: short stacking energy: -12.034 Base-Backbone interact. energy: -0.028 local terms energy: -27.011863 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -4.758 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: 6, replica: 5 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -29.596878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.596878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.596878 (E_RNA) where: Base-Base interactions energy: -7.458 where: short stacking energy: -7.458 Base-Backbone interact. energy: -0.165 local terms energy: -21.973701 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: 1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -31.930432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.930432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.930432 (E_RNA) where: Base-Base interactions energy: -6.295 where: short stacking energy: -6.295 Base-Backbone interact. energy: -0.006 local terms energy: -25.629624 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -2.098 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: 8, replica: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -30.970948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.970948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.970948 (E_RNA) where: Base-Base interactions energy: -5.671 where: short stacking energy: -5.671 Base-Backbone interact. energy: -0.056 local terms energy: -25.244102 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -29.257664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.257664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.257664 (E_RNA) where: Base-Base interactions energy: -9.854 where: short stacking energy: -9.451 Base-Backbone interact. energy: -0.018 local terms energy: -19.385598 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -5.906 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -2.024 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: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -27.844774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.844774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.844774 (E_RNA) where: Base-Base interactions energy: -5.723 where: short stacking energy: -5.723 Base-Backbone interact. energy: -0.021 local terms energy: -22.100858 where: bonds (distance) C4'-P energy: -4.340 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -2.308 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: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -38.699506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.699506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.699506 (E_RNA) where: Base-Base interactions energy: -10.840 where: short stacking energy: -10.384 Base-Backbone interact. energy: -0.280 local terms energy: -27.579402 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -5.177 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: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -37.730491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.730491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.730491 (E_RNA) where: Base-Base interactions energy: -10.512 where: short stacking energy: -10.512 Base-Backbone interact. energy: -0.307 local terms energy: -26.911774 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -3.772 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: 10 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -39.229765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.229765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.229765 (E_RNA) where: Base-Base interactions energy: -11.620 where: short stacking energy: -11.620 Base-Backbone interact. energy: -0.000 local terms energy: -27.609419 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -5.692 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -5.354 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: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -33.710902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.710902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.710902 (E_RNA) where: Base-Base interactions energy: -6.738 where: short stacking energy: -6.738 Base-Backbone interact. energy: -0.007 local terms energy: -26.966038 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -6.281 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: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -35.217940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.217940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.217940 (E_RNA) where: Base-Base interactions energy: -11.550 where: short stacking energy: -11.550 Base-Backbone interact. energy: -0.001 local terms energy: -23.666499 where: bonds (distance) C4'-P energy: -4.362 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -35.443579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.443579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.443579 (E_RNA) where: Base-Base interactions energy: -10.653 where: short stacking energy: -10.653 Base-Backbone interact. energy: -0.067 local terms energy: -24.723588 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -4.511 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: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -32.774903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.774903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.774903 (E_RNA) where: Base-Base interactions energy: -10.439 where: short stacking energy: -10.439 Base-Backbone interact. energy: -0.001 local terms energy: -22.334997 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -2.986 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: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -27.603008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.603008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.603008 (E_RNA) where: Base-Base interactions energy: -5.865 where: short stacking energy: -5.865 Base-Backbone interact. energy: -0.006 local terms energy: -21.731626 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -2.528 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: 2 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -26.636019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.636019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.636019 (E_RNA) where: Base-Base interactions energy: -6.060 where: short stacking energy: -6.060 Base-Backbone interact. energy: -0.041 local terms energy: -20.534953 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -2.807 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: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -27.699330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.699330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.699330 (E_RNA) where: Base-Base interactions energy: -6.875 where: short stacking energy: -6.875 Base-Backbone interact. energy: -0.004 local terms energy: -20.820765 where: bonds (distance) C4'-P energy: -5.102 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -2.539 flat angles P-C4'-P energy: -4.758 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: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -41.485767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.485767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.485767 (E_RNA) where: Base-Base interactions energy: -14.942 where: short stacking energy: -14.942 Base-Backbone interact. energy: -0.004 local terms energy: -26.539618 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -4.909 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: 10 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -35.225246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.225246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.225246 (E_RNA) where: Base-Base interactions energy: -12.437 where: short stacking energy: -12.437 Base-Backbone interact. energy: -0.000 local terms energy: -22.788458 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -41.789469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.789469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.789469 (E_RNA) where: Base-Base interactions energy: -13.693 where: short stacking energy: -13.693 Base-Backbone interact. energy: -0.000 local terms energy: -28.096682 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -35.423845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.423845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.423845 (E_RNA) where: Base-Base interactions energy: -10.449 where: short stacking energy: -10.449 Base-Backbone interact. energy: -0.041 local terms energy: -24.933696 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.064 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: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -31.795591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.795591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.795591 (E_RNA) where: Base-Base interactions energy: -6.626 where: short stacking energy: -6.181 Base-Backbone interact. energy: -0.131 local terms energy: -25.038419 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -5.330 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: 6, replica: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -33.227709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.227709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.227709 (E_RNA) where: Base-Base interactions energy: -9.658 where: short stacking energy: -9.658 Base-Backbone interact. energy: -0.031 local terms energy: -23.539234 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -4.193 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: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -34.180058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.180058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.180058 (E_RNA) where: Base-Base interactions energy: -12.888 where: short stacking energy: -12.888 Base-Backbone interact. energy: -0.000 local terms energy: -21.291938 where: bonds (distance) C4'-P energy: -4.721 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -1.951 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: 8, replica: 2 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -30.433399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.433399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.433399 (E_RNA) where: Base-Base interactions energy: -7.257 where: short stacking energy: -7.257 Base-Backbone interact. energy: -0.099 local terms energy: -23.076602 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.296 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: 9, replica: 1 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -30.437566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.437566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.437566 (E_RNA) where: Base-Base interactions energy: -6.103 where: short stacking energy: -6.103 Base-Backbone interact. energy: 0.005 local terms energy: -24.339149 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -27.390464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.390464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.390464 (E_RNA) where: Base-Base interactions energy: -5.260 where: short stacking energy: -5.260 Base-Backbone interact. energy: -0.042 local terms energy: -22.088974 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.823 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: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -38.164551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.164551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.164551 (E_RNA) where: Base-Base interactions energy: -11.082 where: short stacking energy: -11.082 Base-Backbone interact. energy: -0.009 local terms energy: -27.073205 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -5.927 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: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -40.121173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.121173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.121173 (E_RNA) where: Base-Base interactions energy: -11.210 where: short stacking energy: -11.210 Base-Backbone interact. energy: -0.007 local terms energy: -28.904205 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -3.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -38.477316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.477316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.477316 (E_RNA) where: Base-Base interactions energy: -12.028 where: short stacking energy: -12.028 Base-Backbone interact. energy: -0.002 local terms energy: -26.447914 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -5.571 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: 4, replica: 3 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -34.699825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.699825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.699825 (E_RNA) where: Base-Base interactions energy: -10.489 where: short stacking energy: -9.499 Base-Backbone interact. energy: -0.088 local terms energy: -24.123096 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -1.757 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: 5, replica: 4 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -35.948586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.948586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.948586 (E_RNA) where: Base-Base interactions energy: -6.743 where: short stacking energy: -6.743 Base-Backbone interact. energy: -0.002 local terms energy: -29.203781 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -4.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -36.323406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.323406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.323406 (E_RNA) where: Base-Base interactions energy: -8.471 where: short stacking energy: -8.471 Base-Backbone interact. energy: -0.000 local terms energy: -27.851646 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -3.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -33.398623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.398623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.398623 (E_RNA) where: Base-Base interactions energy: -11.213 where: short stacking energy: -11.213 Base-Backbone interact. energy: 0.301 local terms energy: -22.486760 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -32.224778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.224778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.224778 (E_RNA) where: Base-Base interactions energy: -6.032 where: short stacking energy: -4.514 Base-Backbone interact. energy: -0.000 local terms energy: -26.192020 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -3.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -31.421100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.421100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.421100 (E_RNA) where: Base-Base interactions energy: -7.047 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.000 local terms energy: -24.374409 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -4.716 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: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -25.975705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.975705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.975705 (E_RNA) where: Base-Base interactions energy: -8.809 where: short stacking energy: -6.186 Base-Backbone interact. energy: -0.067 local terms energy: -17.100189 where: bonds (distance) C4'-P energy: -1.848 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -2.422 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: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -41.826581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.826581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.826581 (E_RNA) where: Base-Base interactions energy: -15.515 where: short stacking energy: -15.515 Base-Backbone interact. energy: -0.000 local terms energy: -26.311372 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -3.504 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: 2, replica: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -47.400360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.400360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.400360 (E_RNA) where: Base-Base interactions energy: -19.574 where: short stacking energy: -15.597 Base-Backbone interact. energy: -0.066 local terms energy: -27.760112 where: bonds (distance) C4'-P energy: -3.868 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -5.334 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: 3, replica: 10 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -37.689489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.689489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.689489 (E_RNA) where: Base-Base interactions energy: -11.269 where: short stacking energy: -11.269 Base-Backbone interact. energy: -0.018 local terms energy: -26.402772 where: bonds (distance) C4'-P energy: -5.077 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -36.076612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.076612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.076612 (E_RNA) where: Base-Base interactions energy: -10.844 where: short stacking energy: -10.844 Base-Backbone interact. energy: -0.603 local terms energy: -24.630022 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -4.398 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: 5, replica: 3 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -30.378219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.378219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.378219 (E_RNA) where: Base-Base interactions energy: -8.680 where: short stacking energy: -8.680 Base-Backbone interact. energy: -0.015 local terms energy: -21.683226 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -0.285 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: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -29.280944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.280944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.280944 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.046 local terms energy: -21.135317 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -2.422 tors. eta vs tors. theta energy: 1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -29.667097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.667097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.667097 (E_RNA) where: Base-Base interactions energy: -4.970 where: short stacking energy: -4.970 Base-Backbone interact. energy: -0.101 local terms energy: -24.596091 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -1.348 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: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -32.702029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.702029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.702029 (E_RNA) where: Base-Base interactions energy: -10.669 where: short stacking energy: -10.669 Base-Backbone interact. energy: -0.001 local terms energy: -22.031865 where: bonds (distance) C4'-P energy: -3.728 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -3.683 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: 9, replica: 6 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -29.959467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.959467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.959467 (E_RNA) where: Base-Base interactions energy: -3.592 where: short stacking energy: -3.592 Base-Backbone interact. energy: -0.170 local terms energy: -26.196693 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -27.409721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.409721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.409721 (E_RNA) where: Base-Base interactions energy: -4.293 where: short stacking energy: -4.293 Base-Backbone interact. energy: -0.068 local terms energy: -23.048679 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: 2.565 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: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -38.669706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.669706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.669706 (E_RNA) where: Base-Base interactions energy: -13.272 where: short stacking energy: -13.272 Base-Backbone interact. energy: -0.244 local terms energy: -25.154114 where: bonds (distance) C4'-P energy: -5.177 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -2.338 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -34.690379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.690379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.690379 (E_RNA) where: Base-Base interactions energy: -10.117 where: short stacking energy: -10.117 Base-Backbone interact. energy: -0.014 local terms energy: -24.560260 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -4.569 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: 3, replica: 4 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -41.279651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.279651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.279651 (E_RNA) where: Base-Base interactions energy: -15.085 where: short stacking energy: -15.085 Base-Backbone interact. energy: -0.092 local terms energy: -26.103414 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -4.791 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: 4, replica: 10 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -40.022413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.022413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.022413 (E_RNA) where: Base-Base interactions energy: -10.957 where: short stacking energy: -10.957 Base-Backbone interact. energy: -0.000 local terms energy: -29.065246 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -36.464440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.464440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.464440 (E_RNA) where: Base-Base interactions energy: -8.881 where: short stacking energy: -8.881 Base-Backbone interact. energy: -0.000 local terms energy: -27.583508 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -28.368195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.368195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.368195 (E_RNA) where: Base-Base interactions energy: -3.931 where: short stacking energy: -3.931 Base-Backbone interact. energy: -0.012 local terms energy: -24.425479 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -4.538 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: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -32.178433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.178433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.178433 (E_RNA) where: Base-Base interactions energy: -9.782 where: short stacking energy: -9.782 Base-Backbone interact. energy: -0.001 local terms energy: -22.395325 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.691 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: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -34.739539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.739539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.739539 (E_RNA) where: Base-Base interactions energy: -12.605 where: short stacking energy: -12.605 Base-Backbone interact. energy: -0.002 local terms energy: -22.132898 where: bonds (distance) C4'-P energy: -3.124 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -3.863 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: 9, replica: 1 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -31.203536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.203536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.203536 (E_RNA) where: Base-Base interactions energy: -10.936 where: short stacking energy: -10.936 Base-Backbone interact. energy: -0.095 local terms energy: -20.172513 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -3.485 flat angles P-C4'-P energy: -4.677 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: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -29.975787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.975787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.975787 (E_RNA) where: Base-Base interactions energy: -8.287 where: short stacking energy: -8.287 Base-Backbone interact. energy: -1.166 local terms energy: -20.522355 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: -1.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -38.989517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.989517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.989517 (E_RNA) where: Base-Base interactions energy: -11.685 where: short stacking energy: -11.685 Base-Backbone interact. energy: -0.000 local terms energy: -27.304056 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -32.400548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.400548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.400548 (E_RNA) where: Base-Base interactions energy: -7.540 where: short stacking energy: -7.540 Base-Backbone interact. energy: -0.187 local terms energy: -24.673910 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -2.983 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: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -32.484482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.484482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.484482 (E_RNA) where: Base-Base interactions energy: -4.237 where: short stacking energy: -4.237 Base-Backbone interact. energy: -1.797 local terms energy: -26.450604 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -3.914 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: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -33.838122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.838122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.838122 (E_RNA) where: Base-Base interactions energy: -11.715 where: short stacking energy: -11.715 Base-Backbone interact. energy: -0.022 local terms energy: -22.101823 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -4.798 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: 5, replica: 10 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -38.020362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.020362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.020362 (E_RNA) where: Base-Base interactions energy: -11.428 where: short stacking energy: -11.428 Base-Backbone interact. energy: -0.085 local terms energy: -26.507641 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -4.241 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -5.848 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: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -30.691635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.691635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.691635 (E_RNA) where: Base-Base interactions energy: -5.539 where: short stacking energy: -5.539 Base-Backbone interact. energy: -0.052 local terms energy: -25.100612 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -32.729144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.729144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.729144 (E_RNA) where: Base-Base interactions energy: -5.947 where: short stacking energy: -5.947 Base-Backbone interact. energy: -0.010 local terms energy: -26.772115 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -3.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -30.192519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.192519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.192519 (E_RNA) where: Base-Base interactions energy: -9.443 where: short stacking energy: -9.443 Base-Backbone interact. energy: -0.126 local terms energy: -20.623745 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -4.098 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: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -31.092997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.092997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.092997 (E_RNA) where: Base-Base interactions energy: -12.027 where: short stacking energy: -12.027 Base-Backbone interact. energy: -0.000 local terms energy: -19.065238 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -1.611 flat angles P-C4'-P energy: -1.167 tors. eta vs tors. theta energy: -3.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -26.654219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.654219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.654219 (E_RNA) where: Base-Base interactions energy: -5.574 where: short stacking energy: -5.574 Base-Backbone interact. energy: -0.034 local terms energy: -21.045943 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -4.734 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -4.427 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: 1, replica: 4 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -43.831846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.831846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.831846 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.012 local terms energy: -29.749367 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -35.064254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.064254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.064254 (E_RNA) where: Base-Base interactions energy: -7.246 where: short stacking energy: -7.246 Base-Backbone interact. energy: -0.000 local terms energy: -27.817548 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -4.491 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: 3, replica: 2 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -44.384357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.384357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.384357 (E_RNA) where: Base-Base interactions energy: -15.015 where: short stacking energy: -15.015 Base-Backbone interact. energy: -0.000 local terms energy: -29.369833 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -7.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -33.137524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.137524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.137524 (E_RNA) where: Base-Base interactions energy: -7.919 where: short stacking energy: -7.919 Base-Backbone interact. energy: -0.024 local terms energy: -25.195330 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -5.120 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: 5, replica: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -32.401802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.401802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.401802 (E_RNA) where: Base-Base interactions energy: -8.783 where: short stacking energy: -8.783 Base-Backbone interact. energy: -0.078 local terms energy: -23.541328 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -2.924 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: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -33.964364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.964364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.964364 (E_RNA) where: Base-Base interactions energy: -8.287 where: short stacking energy: -8.587 Base-Backbone interact. energy: -0.247 local terms energy: -25.429768 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -3.988 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: 270 Temperature: 1.200000 Total energy: -24.918957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.918957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.918957 (E_RNA) where: Base-Base interactions energy: -3.320 where: short stacking energy: -3.320 Base-Backbone interact. energy: -0.021 local terms energy: -21.577977 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: 0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -29.575044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.575044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.575044 (E_RNA) where: Base-Base interactions energy: -7.328 where: short stacking energy: -7.428 Base-Backbone interact. energy: -0.005 local terms energy: -22.242339 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -5.691 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -4.456 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: 9, replica: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -29.084509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.084509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.084509 (E_RNA) where: Base-Base interactions energy: -7.226 where: short stacking energy: -7.226 Base-Backbone interact. energy: -0.061 local terms energy: -21.797972 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -2.648 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -25.313040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.313040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.313040 (E_RNA) where: Base-Base interactions energy: -4.182 where: short stacking energy: -4.182 Base-Backbone interact. energy: -0.029 local terms energy: -21.101581 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: 2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -39.674225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.674225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.674225 (E_RNA) where: Base-Base interactions energy: -11.925 where: short stacking energy: -11.925 Base-Backbone interact. energy: -0.186 local terms energy: -27.562877 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -4.256 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: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -36.814026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.814026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.814026 (E_RNA) where: Base-Base interactions energy: -11.721 where: short stacking energy: -11.721 Base-Backbone interact. energy: -0.153 local terms energy: -24.940380 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -4.376 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: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -36.735284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.735284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.735284 (E_RNA) where: Base-Base interactions energy: -11.496 where: short stacking energy: -11.496 Base-Backbone interact. energy: -0.000 local terms energy: -25.238801 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -4.644 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: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -37.492470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.492470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.492470 (E_RNA) where: Base-Base interactions energy: -9.658 where: short stacking energy: -9.658 Base-Backbone interact. energy: -0.000 local terms energy: -27.833678 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -32.353132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.353132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.353132 (E_RNA) where: Base-Base interactions energy: -6.452 where: short stacking energy: -6.452 Base-Backbone interact. energy: -1.054 local terms energy: -24.848030 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -5.455 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: 6, replica: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -30.697552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.697552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.697552 (E_RNA) where: Base-Base interactions energy: -8.352 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.859 local terms energy: -21.486538 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: 1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -31.461925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.461925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.461925 (E_RNA) where: Base-Base interactions energy: -11.731 where: short stacking energy: -11.731 Base-Backbone interact. energy: -0.000 local terms energy: -19.731080 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -3.296 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -0.850 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -29.691600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.691600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.691600 (E_RNA) where: Base-Base interactions energy: -10.213 where: short stacking energy: -10.213 Base-Backbone interact. energy: -0.002 local terms energy: -19.476362 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: 0.071 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: 9, replica: 6 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -32.934200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.934200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.934200 (E_RNA) where: Base-Base interactions energy: -6.771 where: short stacking energy: -6.771 Base-Backbone interact. energy: -0.031 local terms energy: -26.132177 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -5.315 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: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -26.540722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.540722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.540722 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.035 local terms energy: -19.433856 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: 1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -36.128792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.128792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.128792 (E_RNA) where: Base-Base interactions energy: -11.211 where: short stacking energy: -11.346 Base-Backbone interact. energy: -0.007 local terms energy: -24.910891 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -4.971 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: 2, replica: 4 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -40.302085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.302085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.302085 (E_RNA) where: Base-Base interactions energy: -9.024 where: short stacking energy: -9.024 Base-Backbone interact. energy: -0.000 local terms energy: -31.278098 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -5.835 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: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -36.256664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.256664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.256664 (E_RNA) where: Base-Base interactions energy: -11.024 where: short stacking energy: -11.024 Base-Backbone interact. energy: -0.127 local terms energy: -25.105663 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -5.186 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: 272 Temperature: 1.050000 Total energy: -29.805677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.805677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.805677 (E_RNA) where: Base-Base interactions energy: -7.100 where: short stacking energy: -7.100 Base-Backbone interact. energy: -0.000 local terms energy: -22.705471 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: 0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -32.206645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.206645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.206645 (E_RNA) where: Base-Base interactions energy: -9.944 where: short stacking energy: -9.944 Base-Backbone interact. energy: -0.066 local terms energy: -22.196663 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -4.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -28.042258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.042258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.042258 (E_RNA) where: Base-Base interactions energy: -3.061 where: short stacking energy: -2.900 Base-Backbone interact. energy: -0.004 local terms energy: -24.977380 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -3.873 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: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -34.929445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.929445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.929445 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.397 local terms energy: -26.507690 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -2.130 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: 8, replica: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -34.955419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.955419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.955419 (E_RNA) where: Base-Base interactions energy: -11.795 where: short stacking energy: -11.795 Base-Backbone interact. energy: -0.023 local terms energy: -23.137317 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -5.621 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -34.199426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.199426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.199426 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.048 local terms energy: -26.883629 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -4.875 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: 10, replica: 6 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -31.175614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.175614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.175614 (E_RNA) where: Base-Base interactions energy: -9.423 where: short stacking energy: -9.423 Base-Backbone interact. energy: -0.004 local terms energy: -21.749521 where: bonds (distance) C4'-P energy: -6.159 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -3.102 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -45.429964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.429964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.429964 (E_RNA) where: Base-Base interactions energy: -14.357 where: short stacking energy: -14.357 Base-Backbone interact. energy: -0.004 local terms energy: -31.069364 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -5.069 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: 4 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -36.806026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.806026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.806026 (E_RNA) where: Base-Base interactions energy: -10.560 where: short stacking energy: -10.560 Base-Backbone interact. energy: -0.015 local terms energy: -26.230819 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -4.745 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: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -37.540243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.540243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.540243 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.001 local terms energy: -27.904843 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -5.143 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: 1 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -36.344412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.344412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.344412 (E_RNA) where: Base-Base interactions energy: -11.070 where: short stacking energy: -11.070 Base-Backbone interact. energy: -0.097 local terms energy: -25.177338 where: bonds (distance) C4'-P energy: -4.250 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -4.335 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: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -34.441568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.441568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.441568 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.001 local terms energy: -23.936094 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -5.010 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: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -34.353360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.353360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.353360 (E_RNA) where: Base-Base interactions energy: -8.547 where: short stacking energy: -8.547 Base-Backbone interact. energy: -0.029 local terms energy: -25.777635 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -5.036 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: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -30.925748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.925748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.925748 (E_RNA) where: Base-Base interactions energy: -10.908 where: short stacking energy: -10.908 Base-Backbone interact. energy: -0.003 local terms energy: -20.014151 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -2.207 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -32.795218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.795218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.795218 (E_RNA) where: Base-Base interactions energy: -8.490 where: short stacking energy: -8.490 Base-Backbone interact. energy: -0.038 local terms energy: -24.267640 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -5.438 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: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -27.341813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.341813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.341813 (E_RNA) where: Base-Base interactions energy: -2.950 where: short stacking energy: -2.788 Base-Backbone interact. energy: -0.183 local terms energy: -24.208594 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -2.903 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: 10, replica: 6 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -28.327642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.327642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.327642 (E_RNA) where: Base-Base interactions energy: -3.707 where: short stacking energy: -3.707 Base-Backbone interact. energy: -0.015 local terms energy: -24.604923 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -3.282 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: 1, replica: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -39.684735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.684735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.684735 (E_RNA) where: Base-Base interactions energy: -11.607 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.022 local terms energy: -28.056456 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -42.160151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.160151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.160151 (E_RNA) where: Base-Base interactions energy: -15.883 where: short stacking energy: -15.883 Base-Backbone interact. energy: -0.016 local terms energy: -26.261496 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -39.367748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.367748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.367748 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -12.201 Base-Backbone interact. energy: -0.029 local terms energy: -27.137659 where: bonds (distance) C4'-P energy: -5.331 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -4.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -36.423487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.423487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.423487 (E_RNA) where: Base-Base interactions energy: -6.837 where: short stacking energy: -6.837 Base-Backbone interact. energy: -0.000 local terms energy: -29.586306 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -4.467 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -7.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -35.163068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.163068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.163068 (E_RNA) where: Base-Base interactions energy: -7.591 where: short stacking energy: -6.627 Base-Backbone interact. energy: -0.090 local terms energy: -27.482067 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -29.764176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.764176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.764176 (E_RNA) where: Base-Base interactions energy: -4.829 where: short stacking energy: -4.829 Base-Backbone interact. energy: -0.003 local terms energy: -24.931787 where: bonds (distance) C4'-P energy: -5.263 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -5.861 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: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -31.891248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.891248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.891248 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.007 local terms energy: -24.681896 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.772 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: 8, replica: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -27.977294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.977294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.977294 (E_RNA) where: Base-Base interactions energy: -7.513 where: short stacking energy: -7.513 Base-Backbone interact. energy: -0.021 local terms energy: -20.443549 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -3.985 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -5.565 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: 9, replica: 6 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -32.137187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.137187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.137187 (E_RNA) where: Base-Base interactions energy: -6.898 where: short stacking energy: -6.898 Base-Backbone interact. energy: -0.000 local terms energy: -25.238828 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -28.492060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.492060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.492060 (E_RNA) where: Base-Base interactions energy: -6.240 where: short stacking energy: -6.240 Base-Backbone interact. energy: -0.008 local terms energy: -22.244263 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -2.435 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: 1, replica: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -39.020096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.020096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.020096 (E_RNA) where: Base-Base interactions energy: -10.406 where: short stacking energy: -10.406 Base-Backbone interact. energy: -0.000 local terms energy: -28.613877 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -5.598 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: 2, replica: 9 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -38.629289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.629289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.629289 (E_RNA) where: Base-Base interactions energy: -13.560 where: short stacking energy: -13.560 Base-Backbone interact. energy: -0.000 local terms energy: -25.069174 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -5.329 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: 3, replica: 4 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -40.969730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.969730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.969730 (E_RNA) where: Base-Base interactions energy: -13.964 where: short stacking energy: -13.964 Base-Backbone interact. energy: -0.027 local terms energy: -26.978738 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -4.784 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: 4, replica: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -37.919499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.919499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.919499 (E_RNA) where: Base-Base interactions energy: -6.971 where: short stacking energy: -5.445 Base-Backbone interact. energy: -1.054 local terms energy: -29.895031 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -6.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -40.062099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.062099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.062099 (E_RNA) where: Base-Base interactions energy: -12.325 where: short stacking energy: -12.325 Base-Backbone interact. energy: -0.000 local terms energy: -27.736927 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -30.750747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.750747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.750747 (E_RNA) where: Base-Base interactions energy: -7.784 where: short stacking energy: -7.784 Base-Backbone interact. energy: -0.003 local terms energy: -22.963314 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -2.836 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: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -33.993940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.993940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.993940 (E_RNA) where: Base-Base interactions energy: -10.114 where: short stacking energy: -10.114 Base-Backbone interact. energy: -0.015 local terms energy: -23.865464 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -3.111 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: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -31.291570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.291570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.291570 (E_RNA) where: Base-Base interactions energy: -8.187 where: short stacking energy: -8.187 Base-Backbone interact. energy: -0.007 local terms energy: -23.097166 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -32.038507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.038507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.038507 (E_RNA) where: Base-Base interactions energy: -10.543 where: short stacking energy: -10.543 Base-Backbone interact. energy: -0.010 local terms energy: -21.484932 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -28.888139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.888139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.888139 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -6.687 Base-Backbone interact. energy: -0.535 local terms energy: -21.665234 where: bonds (distance) C4'-P energy: -4.093 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -4.267 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: 9 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -35.953029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.953029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.953029 (E_RNA) where: Base-Base interactions energy: -11.789 where: short stacking energy: -11.789 Base-Backbone interact. energy: -0.000 local terms energy: -24.163549 where: bonds (distance) C4'-P energy: -6.970 bonds (distance) P-C4' energy: -5.063 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -39.862537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.862537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.862537 (E_RNA) where: Base-Base interactions energy: -9.086 where: short stacking energy: -9.086 Base-Backbone interact. energy: -2.176 local terms energy: -28.601271 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -38.145804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.145804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.145804 (E_RNA) where: Base-Base interactions energy: -11.427 where: short stacking energy: -11.427 Base-Backbone interact. energy: -0.001 local terms energy: -26.718002 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -5.221 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: 4, replica: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -31.603204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.603204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.603204 (E_RNA) where: Base-Base interactions energy: -9.971 where: short stacking energy: -9.971 Base-Backbone interact. energy: -0.056 local terms energy: -21.576038 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -5.653 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: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -31.797925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.797925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.797925 (E_RNA) where: Base-Base interactions energy: -10.921 where: short stacking energy: -10.921 Base-Backbone interact. energy: -0.000 local terms energy: -20.876670 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -32.524833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.524833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.524833 (E_RNA) where: Base-Base interactions energy: -3.945 where: short stacking energy: -3.945 Base-Backbone interact. energy: -0.000 local terms energy: -28.579234 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: -1.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -31.885341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.885341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.885341 (E_RNA) where: Base-Base interactions energy: -8.350 where: short stacking energy: -8.350 Base-Backbone interact. energy: 0.064 local terms energy: -23.598471 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -2.336 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -5.695 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: 8, replica: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -29.357983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.357983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.357983 (E_RNA) where: Base-Base interactions energy: -5.623 where: short stacking energy: -5.623 Base-Backbone interact. energy: -0.099 local terms energy: -23.635484 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -27.742433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.742433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.742433 (E_RNA) where: Base-Base interactions energy: -6.483 where: short stacking energy: -6.483 Base-Backbone interact. energy: -0.000 local terms energy: -21.259833 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -3.815 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: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -25.169237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.169237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.169237 (E_RNA) where: Base-Base interactions energy: -6.303 where: short stacking energy: -4.815 Base-Backbone interact. energy: -0.095 local terms energy: -18.771343 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -2.246 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: 1, replica: 9 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -35.935026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.935026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.935026 (E_RNA) where: Base-Base interactions energy: -11.533 where: short stacking energy: -11.533 Base-Backbone interact. energy: -0.786 local terms energy: -23.616324 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -40.547327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.547327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.547327 (E_RNA) where: Base-Base interactions energy: -11.811 where: short stacking energy: -11.811 Base-Backbone interact. energy: -0.001 local terms energy: -28.735940 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -38.866929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.866929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.866929 (E_RNA) where: Base-Base interactions energy: -11.407 where: short stacking energy: -11.407 Base-Backbone interact. energy: -0.061 local terms energy: -27.398380 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -35.773757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.773757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.773757 (E_RNA) where: Base-Base interactions energy: -10.900 where: short stacking energy: -9.973 Base-Backbone interact. energy: 0.307 local terms energy: -25.181468 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -4.532 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: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -32.607987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.607987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.607987 (E_RNA) where: Base-Base interactions energy: -7.032 where: short stacking energy: -7.032 Base-Backbone interact. energy: 0.050 local terms energy: -25.626108 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -1.970 tors. eta vs tors. theta energy: -4.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -32.828026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.828026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.828026 (E_RNA) where: Base-Base interactions energy: -9.689 where: short stacking energy: -9.689 Base-Backbone interact. energy: -0.000 local terms energy: -23.138368 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -4.554 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: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -28.322225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.322225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.322225 (E_RNA) where: Base-Base interactions energy: -5.411 where: short stacking energy: -5.411 Base-Backbone interact. energy: -0.013 local terms energy: -22.898847 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -2.348 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: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -31.455061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.455061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.455061 (E_RNA) where: Base-Base interactions energy: -10.569 where: short stacking energy: -8.320 Base-Backbone interact. energy: -0.073 local terms energy: -20.813182 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -0.189 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: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -35.526756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.526756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.526756 (E_RNA) where: Base-Base interactions energy: -10.715 where: short stacking energy: -10.715 Base-Backbone interact. energy: -0.063 local terms energy: -24.749026 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -4.178 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: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -31.691510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.691510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.691510 (E_RNA) where: Base-Base interactions energy: -7.745 where: short stacking energy: -6.958 Base-Backbone interact. energy: -0.263 local terms energy: -23.683606 where: bonds (distance) C4'-P energy: -4.543 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -4.188 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: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -41.671665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.671665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.671665 (E_RNA) where: Base-Base interactions energy: -13.658 where: short stacking energy: -13.658 Base-Backbone interact. energy: -0.056 local terms energy: -27.957754 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -4.966 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: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -37.918677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.918677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.918677 (E_RNA) where: Base-Base interactions energy: -11.842 where: short stacking energy: -11.842 Base-Backbone interact. energy: -0.096 local terms energy: -25.981223 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -35.705966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.705966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.705966 (E_RNA) where: Base-Base interactions energy: -9.068 where: short stacking energy: -9.068 Base-Backbone interact. energy: -0.350 local terms energy: -26.287350 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: 0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -36.457051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.457051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.457051 (E_RNA) where: Base-Base interactions energy: -11.217 where: short stacking energy: -11.217 Base-Backbone interact. energy: -0.021 local terms energy: -25.219198 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -3.825 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: 5, replica: 6 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -32.365781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.365781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.365781 (E_RNA) where: Base-Base interactions energy: -9.559 where: short stacking energy: -9.559 Base-Backbone interact. energy: -0.003 local terms energy: -22.804069 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -1.523 tors. eta vs tors. theta energy: -2.604 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: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -35.448892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.448892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.448892 (E_RNA) where: Base-Base interactions energy: -12.719 where: short stacking energy: -12.719 Base-Backbone interact. energy: -0.006 local terms energy: -22.723067 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -27.253758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.253758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.253758 (E_RNA) where: Base-Base interactions energy: -7.560 where: short stacking energy: -7.560 Base-Backbone interact. energy: -0.013 local terms energy: -19.680666 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -3.447 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: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -31.261402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.261402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.261402 (E_RNA) where: Base-Base interactions energy: -8.012 where: short stacking energy: -8.012 Base-Backbone interact. energy: -0.087 local terms energy: -23.162035 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -1.733 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -31.798027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.798027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.798027 (E_RNA) where: Base-Base interactions energy: -9.205 where: short stacking energy: -8.945 Base-Backbone interact. energy: 0.372 local terms energy: -22.964729 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -31.565417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.565417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.565417 (E_RNA) where: Base-Base interactions energy: -7.516 where: short stacking energy: -7.516 Base-Backbone interact. energy: -0.000 local terms energy: -24.048887 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.322 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: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -37.657351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.657351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.657351 (E_RNA) where: Base-Base interactions energy: -11.879 where: short stacking energy: -11.879 Base-Backbone interact. energy: -0.877 local terms energy: -24.900754 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -37.698773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.698773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.698773 (E_RNA) where: Base-Base interactions energy: -11.166 where: short stacking energy: -11.166 Base-Backbone interact. energy: -0.445 local terms energy: -26.087893 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -5.637 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: 3, replica: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -35.490764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.490764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.490764 (E_RNA) where: Base-Base interactions energy: -11.039 where: short stacking energy: -11.039 Base-Backbone interact. energy: -0.079 local terms energy: -24.372886 where: bonds (distance) C4'-P energy: -3.504 bonds (distance) P-C4' energy: -5.978 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -6.022 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: 4, replica: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -35.636422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.636422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.636422 (E_RNA) where: Base-Base interactions energy: -11.579 where: short stacking energy: -11.579 Base-Backbone interact. energy: -0.023 local terms energy: -24.034320 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -4.910 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: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -34.230551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.230551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.230551 (E_RNA) where: Base-Base interactions energy: -9.889 where: short stacking energy: -9.889 Base-Backbone interact. energy: -0.011 local terms energy: -24.330833 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: 0.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -36.708719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.708719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.708719 (E_RNA) where: Base-Base interactions energy: -8.537 where: short stacking energy: -8.537 Base-Backbone interact. energy: -0.002 local terms energy: -28.169435 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -5.558 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: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -29.990043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.990043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.990043 (E_RNA) where: Base-Base interactions energy: -8.021 where: short stacking energy: -8.021 Base-Backbone interact. energy: -0.006 local terms energy: -21.962701 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -31.412813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.412813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.412813 (E_RNA) where: Base-Base interactions energy: -5.228 where: short stacking energy: -5.228 Base-Backbone interact. energy: -0.000 local terms energy: -26.184726 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -5.912 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: 9, replica: 1 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -28.944333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.944333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.944333 (E_RNA) where: Base-Base interactions energy: -7.515 where: short stacking energy: -7.515 Base-Backbone interact. energy: -0.001 local terms energy: -21.428821 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -1.057 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: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -28.933587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.933587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.933587 (E_RNA) where: Base-Base interactions energy: -3.362 where: short stacking energy: -3.362 Base-Backbone interact. energy: -0.094 local terms energy: -25.477161 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -0.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -44.010148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.010148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.010148 (E_RNA) where: Base-Base interactions energy: -15.158 where: short stacking energy: -15.158 Base-Backbone interact. energy: -0.000 local terms energy: -28.851828 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -6.254 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: 280 Temperature: 0.950000 Total energy: -34.377397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.377397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.377397 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.065 local terms energy: -25.784267 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -6.081 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: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -36.603105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.603105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.603105 (E_RNA) where: Base-Base interactions energy: -10.338 where: short stacking energy: -10.338 Base-Backbone interact. energy: 0.141 local terms energy: -26.406175 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -3.109 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: 4, replica: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -32.282341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.282341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.282341 (E_RNA) where: Base-Base interactions energy: -8.221 where: short stacking energy: -8.221 Base-Backbone interact. energy: -0.030 local terms energy: -24.031008 where: bonds (distance) C4'-P energy: -4.382 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -5.276 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: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -31.869777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.869777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.869777 (E_RNA) where: Base-Base interactions energy: -7.352 where: short stacking energy: -7.352 Base-Backbone interact. energy: -0.015 local terms energy: -24.502407 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -5.731 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.813 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: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -35.614947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.614947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.614947 (E_RNA) where: Base-Base interactions energy: -9.323 where: short stacking energy: -10.146 Base-Backbone interact. energy: -0.093 local terms energy: -26.198555 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -33.009166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.009166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.009166 (E_RNA) where: Base-Base interactions energy: -8.391 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.175 local terms energy: -24.443031 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.853 flat angles P-C4'-P energy: -5.169 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: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -31.983987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.983987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.983987 (E_RNA) where: Base-Base interactions energy: -5.894 where: short stacking energy: -5.894 Base-Backbone interact. energy: -0.730 local terms energy: -25.360450 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -31.407723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.407723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.407723 (E_RNA) where: Base-Base interactions energy: -5.911 where: short stacking energy: -5.911 Base-Backbone interact. energy: -0.000 local terms energy: -25.496431 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -4.373 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: 10, replica: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -31.220210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.220210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.220210 (E_RNA) where: Base-Base interactions energy: -10.272 where: short stacking energy: -10.272 Base-Backbone interact. energy: -0.034 local terms energy: -20.914744 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: 0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -36.240408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.240408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.240408 (E_RNA) where: Base-Base interactions energy: -8.217 where: short stacking energy: -7.039 Base-Backbone interact. energy: -0.006 local terms energy: -28.017091 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -39.529550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.529550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.529550 (E_RNA) where: Base-Base interactions energy: -10.459 where: short stacking energy: -10.459 Base-Backbone interact. energy: -0.000 local terms energy: -29.070961 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -6.194 tors. eta vs tors. theta energy: -4.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -33.867467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.867467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.867467 (E_RNA) where: Base-Base interactions energy: -6.681 where: short stacking energy: -6.681 Base-Backbone interact. energy: -1.317 local terms energy: -25.869584 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -1.732 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -36.814618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.814618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.814618 (E_RNA) where: Base-Base interactions energy: -8.888 where: short stacking energy: -8.888 Base-Backbone interact. energy: -0.067 local terms energy: -27.859381 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -5.404 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: 5, replica: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -34.753752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.753752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.753752 (E_RNA) where: Base-Base interactions energy: -10.041 where: short stacking energy: -9.870 Base-Backbone interact. energy: -0.024 local terms energy: -24.688442 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -2.918 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -32.921488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.921488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.921488 (E_RNA) where: Base-Base interactions energy: -8.241 where: short stacking energy: -8.241 Base-Backbone interact. energy: -0.002 local terms energy: -24.677742 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -4.476 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: 281 Temperature: 1.200000 Total energy: -28.032735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.032735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.032735 (E_RNA) where: Base-Base interactions energy: -4.235 where: short stacking energy: -4.059 Base-Backbone interact. energy: -0.053 local terms energy: -23.744416 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -5.043 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: 8, replica: 8 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -31.600311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.600311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.600311 (E_RNA) where: Base-Base interactions energy: -10.392 where: short stacking energy: -10.488 Base-Backbone interact. energy: -0.378 local terms energy: -20.830256 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -1.716 tors. eta vs tors. theta energy: -0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -35.125648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.125648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.125648 (E_RNA) where: Base-Base interactions energy: -11.489 where: short stacking energy: -10.241 Base-Backbone interact. energy: -0.003 local terms energy: -23.633953 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -1.098 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -29.635088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.635088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.635088 (E_RNA) where: Base-Base interactions energy: -10.148 where: short stacking energy: -9.768 Base-Backbone interact. energy: -0.030 local terms energy: -19.456993 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -2.983 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -3.975 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: 1, replica: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -37.064704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.064704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.064704 (E_RNA) where: Base-Base interactions energy: -12.054 where: short stacking energy: -12.054 Base-Backbone interact. energy: -0.024 local terms energy: -24.986022 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -1.944 flat angles P-C4'-P energy: -5.743 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: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -35.493406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.493406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.493406 (E_RNA) where: Base-Base interactions energy: -7.080 where: short stacking energy: -7.196 Base-Backbone interact. energy: -0.001 local terms energy: -28.412654 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -5.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -41.734337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.734337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.734337 (E_RNA) where: Base-Base interactions energy: -13.214 where: short stacking energy: -13.214 Base-Backbone interact. energy: -0.003 local terms energy: -28.517011 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -4.926 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: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -35.987177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.987177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.987177 (E_RNA) where: Base-Base interactions energy: -11.336 where: short stacking energy: -11.336 Base-Backbone interact. energy: -0.059 local terms energy: -24.592612 where: bonds (distance) C4'-P energy: -5.058 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -30.589328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.589328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.589328 (E_RNA) where: Base-Base interactions energy: -5.702 where: short stacking energy: -5.702 Base-Backbone interact. energy: -0.095 local terms energy: -24.792226 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -1.367 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -37.534493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.534493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.534493 (E_RNA) where: Base-Base interactions energy: -11.617 where: short stacking energy: -11.617 Base-Backbone interact. energy: -0.000 local terms energy: -25.917601 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -4.344 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: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -32.281182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.281182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.281182 (E_RNA) where: Base-Base interactions energy: -8.595 where: short stacking energy: -8.595 Base-Backbone interact. energy: -0.022 local terms energy: -23.664307 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -31.393159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.393159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.393159 (E_RNA) where: Base-Base interactions energy: -9.683 where: short stacking energy: -9.683 Base-Backbone interact. energy: -0.008 local terms energy: -21.702574 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -2.611 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: 9, replica: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -28.620416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.620416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.620416 (E_RNA) where: Base-Base interactions energy: -5.325 where: short stacking energy: -5.325 Base-Backbone interact. energy: -0.077 local terms energy: -23.218273 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -2.326 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: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -29.512755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.512755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.512755 (E_RNA) where: Base-Base interactions energy: -6.992 where: short stacking energy: -6.992 Base-Backbone interact. energy: -0.117 local terms energy: -22.403331 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: 0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -39.180602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.180602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.180602 (E_RNA) where: Base-Base interactions energy: -14.491 where: short stacking energy: -14.491 Base-Backbone interact. energy: -0.060 local terms energy: -24.629138 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -2.624 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: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -36.931929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.931929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.931929 (E_RNA) where: Base-Base interactions energy: -10.198 where: short stacking energy: -10.198 Base-Backbone interact. energy: -0.018 local terms energy: -26.716251 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -2.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -42.243698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.243698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.243698 (E_RNA) where: Base-Base interactions energy: -14.510 where: short stacking energy: -14.510 Base-Backbone interact. energy: -0.000 local terms energy: -27.734141 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -28.281653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.281653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.281653 (E_RNA) where: Base-Base interactions energy: -7.919 where: short stacking energy: -7.919 Base-Backbone interact. energy: -0.043 local terms energy: -20.319059 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.123 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: 5, replica: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -34.211319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.211319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.211319 (E_RNA) where: Base-Base interactions energy: -8.922 where: short stacking energy: -8.922 Base-Backbone interact. energy: -0.000 local terms energy: -25.289501 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.596 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -30.458057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.458057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.458057 (E_RNA) where: Base-Base interactions energy: -4.136 where: short stacking energy: -2.547 Base-Backbone interact. energy: -0.112 local terms energy: -26.210375 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -3.810 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: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -28.955841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.955841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.955841 (E_RNA) where: Base-Base interactions energy: -6.519 where: short stacking energy: -6.519 Base-Backbone interact. energy: -0.002 local terms energy: -22.434101 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -5.156 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: 8, replica: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -32.818528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.818528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.818528 (E_RNA) where: Base-Base interactions energy: -5.781 where: short stacking energy: -4.392 Base-Backbone interact. energy: -0.065 local terms energy: -26.972614 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -5.525 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: 283 Temperature: 1.300000 Total energy: -32.538627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.538627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.538627 (E_RNA) where: Base-Base interactions energy: -6.567 where: short stacking energy: -6.567 Base-Backbone interact. energy: 0.516 local terms energy: -26.487900 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -4.553 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: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -27.003854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.003854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.003854 (E_RNA) where: Base-Base interactions energy: -2.230 where: short stacking energy: -2.230 Base-Backbone interact. energy: -0.205 local terms energy: -24.569424 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -42.722375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.722375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.722375 (E_RNA) where: Base-Base interactions energy: -13.308 where: short stacking energy: -13.308 Base-Backbone interact. energy: -0.546 local terms energy: -28.867559 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -5.817 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -41.774786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.774786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.774786 (E_RNA) where: Base-Base interactions energy: -14.453 where: short stacking energy: -13.521 Base-Backbone interact. energy: -0.416 local terms energy: -26.905777 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -5.540 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: 4 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -34.970385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.970385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.970385 (E_RNA) where: Base-Base interactions energy: -10.501 where: short stacking energy: -10.501 Base-Backbone interact. energy: -0.021 local terms energy: -24.448678 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -2.227 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -37.392652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.392652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.392652 (E_RNA) where: Base-Base interactions energy: -9.564 where: short stacking energy: -9.564 Base-Backbone interact. energy: -0.002 local terms energy: -27.826389 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.974 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: 5, replica: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -31.612893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.612893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.612893 (E_RNA) where: Base-Base interactions energy: -9.337 where: short stacking energy: -9.337 Base-Backbone interact. energy: -0.065 local terms energy: -22.210516 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -4.930 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -31.989512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.989512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.989512 (E_RNA) where: Base-Base interactions energy: -10.677 where: short stacking energy: -10.677 Base-Backbone interact. energy: 0.836 local terms energy: -22.147738 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -4.955 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: 7, replica: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -33.732401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.732401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.732401 (E_RNA) where: Base-Base interactions energy: -10.578 where: short stacking energy: -10.578 Base-Backbone interact. energy: -0.023 local terms energy: -23.130856 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -28.563848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.563848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.563848 (E_RNA) where: Base-Base interactions energy: -5.804 where: short stacking energy: -5.804 Base-Backbone interact. energy: -0.039 local terms energy: -22.720440 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: 0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -33.774587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.774587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.774587 (E_RNA) where: Base-Base interactions energy: -9.788 where: short stacking energy: -9.788 Base-Backbone interact. energy: -0.000 local terms energy: -23.986009 where: bonds (distance) C4'-P energy: -0.027 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -5.582 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: 10, replica: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -32.574366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.574366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.574366 (E_RNA) where: Base-Base interactions energy: -10.602 where: short stacking energy: -10.602 Base-Backbone interact. energy: -0.003 local terms energy: -21.969953 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -5.058 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: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -40.486070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.486070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.486070 (E_RNA) where: Base-Base interactions energy: -12.840 where: short stacking energy: -12.840 Base-Backbone interact. energy: -0.001 local terms energy: -27.644644 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -6.035 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: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -38.978351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.978351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.978351 (E_RNA) where: Base-Base interactions energy: -10.996 where: short stacking energy: -10.996 Base-Backbone interact. energy: -0.009 local terms energy: -27.973029 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -34.938356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.938356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.938356 (E_RNA) where: Base-Base interactions energy: -8.715 where: short stacking energy: -8.715 Base-Backbone interact. energy: -0.013 local terms energy: -26.209778 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -6.062 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: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -33.303753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.303753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.303753 (E_RNA) where: Base-Base interactions energy: -11.365 where: short stacking energy: -11.365 Base-Backbone interact. energy: -0.047 local terms energy: -21.892031 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.256 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -32.162700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.162700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.162700 (E_RNA) where: Base-Base interactions energy: -8.300 where: short stacking energy: -8.300 Base-Backbone interact. energy: -0.030 local terms energy: -23.832653 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -33.470756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.470756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.470756 (E_RNA) where: Base-Base interactions energy: -11.069 where: short stacking energy: -11.069 Base-Backbone interact. energy: -0.083 local terms energy: -22.319185 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -4.518 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: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -29.193836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.193836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.193836 (E_RNA) where: Base-Base interactions energy: -8.205 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.088 local terms energy: -20.900780 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -2.221 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: 285 Temperature: 1.250000 Total energy: -29.048506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.048506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.048506 (E_RNA) where: Base-Base interactions energy: -7.226 where: short stacking energy: -6.808 Base-Backbone interact. energy: 0.407 local terms energy: -22.229342 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -5.625 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -3.349 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: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -29.238664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.238664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.238664 (E_RNA) where: Base-Base interactions energy: -8.590 where: short stacking energy: -8.204 Base-Backbone interact. energy: 0.364 local terms energy: -21.012667 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -5.299 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -3.123 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: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -31.637857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.637857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.637857 (E_RNA) where: Base-Base interactions energy: -11.896 where: short stacking energy: -11.896 Base-Backbone interact. energy: -0.006 local terms energy: -19.735457 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -3.238 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: 1, replica: 6 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -43.301981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.301981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.301981 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: -0.000 local terms energy: -28.546659 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -36.684931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.684931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.684931 (E_RNA) where: Base-Base interactions energy: -11.058 where: short stacking energy: -9.552 Base-Backbone interact. energy: -0.099 local terms energy: -25.528184 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -39.306265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.306265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.306265 (E_RNA) where: Base-Base interactions energy: -13.473 where: short stacking energy: -12.482 Base-Backbone interact. energy: 0.856 local terms energy: -26.689879 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -3.905 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: 4, replica: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -38.830264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.830264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.830264 (E_RNA) where: Base-Base interactions energy: -9.368 where: short stacking energy: -9.368 Base-Backbone interact. energy: -0.000 local terms energy: -29.462299 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -4.731 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: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -31.705445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.705445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.705445 (E_RNA) where: Base-Base interactions energy: -8.409 where: short stacking energy: -7.202 Base-Backbone interact. energy: -0.049 local terms energy: -23.247309 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.484 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -4.680 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: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -31.489255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.489255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.489255 (E_RNA) where: Base-Base interactions energy: -8.807 where: short stacking energy: -7.300 Base-Backbone interact. energy: -0.043 local terms energy: -22.639527 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -1.242 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: 10 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -28.931738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.931738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.931738 (E_RNA) where: Base-Base interactions energy: -5.440 where: short stacking energy: -5.521 Base-Backbone interact. energy: -0.030 local terms energy: -23.462009 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -1.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -29.836455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.836455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.836455 (E_RNA) where: Base-Base interactions energy: -5.456 where: short stacking energy: -1.731 Base-Backbone interact. energy: -0.053 local terms energy: -24.327347 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.312 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -4.310 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: 9, replica: 2 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -30.755507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.755507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.755507 (E_RNA) where: Base-Base interactions energy: -6.604 where: short stacking energy: -5.352 Base-Backbone interact. energy: -0.223 local terms energy: -23.928574 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.143 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: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -27.693614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.693614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.693614 (E_RNA) where: Base-Base interactions energy: -2.293 where: short stacking energy: -2.293 Base-Backbone interact. energy: -0.159 local terms energy: -25.240851 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -3.036 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: 6 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -40.949463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.949463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.949463 (E_RNA) where: Base-Base interactions energy: -15.407 where: short stacking energy: -15.407 Base-Backbone interact. energy: -0.024 local terms energy: -25.519075 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -39.809900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.809900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.809900 (E_RNA) where: Base-Base interactions energy: -13.394 where: short stacking energy: -13.394 Base-Backbone interact. energy: -0.105 local terms energy: -26.311101 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -31.479747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.479747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.479747 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.049 local terms energy: -23.913801 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -5.649 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: 1 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -34.137712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.137712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.137712 (E_RNA) where: Base-Base interactions energy: -10.531 where: short stacking energy: -10.531 Base-Backbone interact. energy: -0.075 local terms energy: -23.532141 where: bonds (distance) C4'-P energy: -6.005 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -32.514416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.514416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.514416 (E_RNA) where: Base-Base interactions energy: -5.033 where: short stacking energy: -5.033 Base-Backbone interact. energy: -0.052 local terms energy: -27.430184 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -31.493872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.493872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.493872 (E_RNA) where: Base-Base interactions energy: -9.589 where: short stacking energy: -9.465 Base-Backbone interact. energy: -0.011 local terms energy: -21.893444 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.050 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: 7, replica: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -35.034429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.034429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.034429 (E_RNA) where: Base-Base interactions energy: -12.402 where: short stacking energy: -12.402 Base-Backbone interact. energy: -0.163 local terms energy: -22.470000 where: bonds (distance) C4'-P energy: -1.608 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -5.329 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: 8, replica: 2 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -32.206924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.206924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.206924 (E_RNA) where: Base-Base interactions energy: -9.680 where: short stacking energy: -9.680 Base-Backbone interact. energy: -0.056 local terms energy: -22.471518 where: bonds (distance) C4'-P energy: -5.425 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -31.069514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.069514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.069514 (E_RNA) where: Base-Base interactions energy: -7.525 where: short stacking energy: -7.525 Base-Backbone interact. energy: -0.026 local terms energy: -23.518827 where: bonds (distance) C4'-P energy: -4.650 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -28.664931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.664931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.664931 (E_RNA) where: Base-Base interactions energy: -4.010 where: short stacking energy: -4.010 Base-Backbone interact. energy: -0.211 local terms energy: -24.443278 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -42.784724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.784724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.784724 (E_RNA) where: Base-Base interactions energy: -14.448 where: short stacking energy: -14.448 Base-Backbone interact. energy: -0.000 local terms energy: -28.336989 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -8.042 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -3.937 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: 6 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -32.630470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.630470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.630470 (E_RNA) where: Base-Base interactions energy: -5.347 where: short stacking energy: -5.347 Base-Backbone interact. energy: -0.101 local terms energy: -27.182613 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -2.937 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: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -34.383339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.383339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.383339 (E_RNA) where: Base-Base interactions energy: -11.211 where: short stacking energy: -11.211 Base-Backbone interact. energy: -0.017 local terms energy: -23.156306 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -1.668 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: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -32.982532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.982532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.982532 (E_RNA) where: Base-Base interactions energy: -5.358 where: short stacking energy: -5.358 Base-Backbone interact. energy: -0.000 local terms energy: -27.624725 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -4.513 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: 288 Temperature: 1.100000 Total energy: -30.179196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.179196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.179196 (E_RNA) where: Base-Base interactions energy: -5.226 where: short stacking energy: -5.226 Base-Backbone interact. energy: -0.001 local terms energy: -24.952015 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.702 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: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -32.976976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.976976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.976976 (E_RNA) where: Base-Base interactions energy: -8.051 where: short stacking energy: -8.051 Base-Backbone interact. energy: -0.001 local terms energy: -24.925160 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -4.172 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: 7, replica: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -30.541744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.541744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.541744 (E_RNA) where: Base-Base interactions energy: -8.900 where: short stacking energy: -8.900 Base-Backbone interact. energy: -0.016 local terms energy: -21.625214 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -1.616 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: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -29.935994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.935994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.935994 (E_RNA) where: Base-Base interactions energy: -7.958 where: short stacking energy: -7.958 Base-Backbone interact. energy: -0.106 local terms energy: -21.871813 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -4.930 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -1.263 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -31.213540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.213540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.213540 (E_RNA) where: Base-Base interactions energy: -8.779 where: short stacking energy: -8.779 Base-Backbone interact. energy: -0.010 local terms energy: -22.424195 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: 1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -30.166944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.166944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.166944 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.048 Base-Backbone interact. energy: -0.247 local terms energy: -22.872024 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -2.745 tors. eta vs tors. theta energy: -1.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -35.247364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.247364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.247364 (E_RNA) where: Base-Base interactions energy: -10.515 where: short stacking energy: -10.515 Base-Backbone interact. energy: -0.028 local terms energy: -24.704345 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -41.607462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.607462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.607462 (E_RNA) where: Base-Base interactions energy: -13.969 where: short stacking energy: -13.969 Base-Backbone interact. energy: -0.001 local terms energy: -27.637839 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -2.859 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: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -35.357506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.357506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.357506 (E_RNA) where: Base-Base interactions energy: -10.304 where: short stacking energy: -10.125 Base-Backbone interact. energy: -0.850 local terms energy: -24.203336 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -4.768 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -4.234 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: 4, replica: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -32.436063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.436063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.436063 (E_RNA) where: Base-Base interactions energy: -7.701 where: short stacking energy: -7.701 Base-Backbone interact. energy: -0.133 local terms energy: -24.601709 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -2.779 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: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -37.252156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.252156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.252156 (E_RNA) where: Base-Base interactions energy: -10.426 where: short stacking energy: -10.426 Base-Backbone interact. energy: -0.029 local terms energy: -26.797069 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -4.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -30.226885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.226885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.226885 (E_RNA) where: Base-Base interactions energy: -5.264 where: short stacking energy: -5.264 Base-Backbone interact. energy: -0.012 local terms energy: -24.951650 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -3.885 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: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -32.271257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.271257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.271257 (E_RNA) where: Base-Base interactions energy: -8.397 where: short stacking energy: -8.397 Base-Backbone interact. energy: -0.025 local terms energy: -23.848971 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -4.817 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: 8, replica: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -29.650619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.650619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.650619 (E_RNA) where: Base-Base interactions energy: -7.477 where: short stacking energy: -7.477 Base-Backbone interact. energy: -0.096 local terms energy: -22.077877 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: 0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -31.737618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.737618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.737618 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.006 local terms energy: -23.889227 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -4.058 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: 10, replica: 8 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -26.927931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.927931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.927931 (E_RNA) where: Base-Base interactions energy: -3.995 where: short stacking energy: -3.995 Base-Backbone interact. energy: -0.006 local terms energy: -22.926161 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -3.232 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: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -39.227754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.227754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.227754 (E_RNA) where: Base-Base interactions energy: -12.191 where: short stacking energy: -12.191 Base-Backbone interact. energy: -0.000 local terms energy: -27.036420 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -33.628606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.628606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.628606 (E_RNA) where: Base-Base interactions energy: -7.957 where: short stacking energy: -7.957 Base-Backbone interact. energy: -0.155 local terms energy: -25.516103 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -4.914 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: 3, replica: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -32.838433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.838433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.838433 (E_RNA) where: Base-Base interactions energy: -7.077 where: short stacking energy: -7.077 Base-Backbone interact. energy: -0.047 local terms energy: -25.714224 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -33.735017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.735017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.735017 (E_RNA) where: Base-Base interactions energy: -7.660 where: short stacking energy: -7.660 Base-Backbone interact. energy: -0.037 local terms energy: -26.038750 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -5.287 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: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -33.898210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.898210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.898210 (E_RNA) where: Base-Base interactions energy: -7.239 where: short stacking energy: -7.239 Base-Backbone interact. energy: -0.099 local terms energy: -26.560229 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -33.608558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.608558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.608558 (E_RNA) where: Base-Base interactions energy: -10.833 where: short stacking energy: -10.833 Base-Backbone interact. energy: -0.025 local terms energy: -22.750337 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: 0.323 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: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -29.630893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.630893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.630893 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.773 Base-Backbone interact. energy: -0.189 local terms energy: -20.587319 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -5.607 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: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -26.816087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.816087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.816087 (E_RNA) where: Base-Base interactions energy: -5.811 where: short stacking energy: -5.287 Base-Backbone interact. energy: -0.135 local terms energy: -20.870098 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: 1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -27.942398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.942398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.942398 (E_RNA) where: Base-Base interactions energy: -6.457 where: short stacking energy: -5.469 Base-Backbone interact. energy: -0.031 local terms energy: -21.453795 where: bonds (distance) C4'-P energy: -5.077 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -1.135 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: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -30.926520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.926520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.926520 (E_RNA) where: Base-Base interactions energy: -7.552 where: short stacking energy: -7.552 Base-Backbone interact. energy: -0.014 local terms energy: -23.361141 where: bonds (distance) C4'-P energy: -5.433 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -5.309 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: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -42.366400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.366400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.366400 (E_RNA) where: Base-Base interactions energy: -15.370 where: short stacking energy: -13.789 Base-Backbone interact. energy: -0.011 local terms energy: -26.985536 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -40.985009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.985009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.985009 (E_RNA) where: Base-Base interactions energy: -11.332 where: short stacking energy: -11.332 Base-Backbone interact. energy: -0.000 local terms energy: -29.652878 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -4.398 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: 291 Temperature: 1.000000 Total energy: -36.035669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.035669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.035669 (E_RNA) where: Base-Base interactions energy: -13.080 where: short stacking energy: -13.080 Base-Backbone interact. energy: -0.014 local terms energy: -22.941410 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -3.447 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: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -36.139042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.139042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.139042 (E_RNA) where: Base-Base interactions energy: -12.439 where: short stacking energy: -10.516 Base-Backbone interact. energy: -0.009 local terms energy: -23.690345 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -4.360 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: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -29.404728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.404728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.404728 (E_RNA) where: Base-Base interactions energy: -6.109 where: short stacking energy: -6.109 Base-Backbone interact. energy: -0.023 local terms energy: -23.272329 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: 1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -32.149698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.149698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.149698 (E_RNA) where: Base-Base interactions energy: -9.206 where: short stacking energy: -9.206 Base-Backbone interact. energy: -0.016 local terms energy: -22.928098 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -32.627974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.627974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.627974 (E_RNA) where: Base-Base interactions energy: -6.809 where: short stacking energy: -6.809 Base-Backbone interact. energy: -0.012 local terms energy: -25.807439 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -5.440 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: 8 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -28.949025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.949025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.949025 (E_RNA) where: Base-Base interactions energy: -7.751 where: short stacking energy: -7.751 Base-Backbone interact. energy: -0.029 local terms energy: -21.169098 where: bonds (distance) C4'-P energy: -5.202 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -2.239 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: 291 Temperature: 1.300000 Total energy: -28.998409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.998409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.998409 (E_RNA) where: Base-Base interactions energy: -3.377 where: short stacking energy: -3.377 Base-Backbone interact. energy: -0.533 local terms energy: -25.088902 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -4.368 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: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -32.162226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.162226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.162226 (E_RNA) where: Base-Base interactions energy: -7.150 where: short stacking energy: -7.150 Base-Backbone interact. energy: -0.084 local terms energy: -24.927775 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -40.333320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.333320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.333320 (E_RNA) where: Base-Base interactions energy: -10.785 where: short stacking energy: -10.785 Base-Backbone interact. energy: -0.097 local terms energy: -29.451253 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -5.576 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: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -36.408365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.408365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.408365 (E_RNA) where: Base-Base interactions energy: -12.755 where: short stacking energy: -12.755 Base-Backbone interact. energy: -0.002 local terms energy: -23.651673 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -34.118594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.118594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.118594 (E_RNA) where: Base-Base interactions energy: -7.228 where: short stacking energy: -7.285 Base-Backbone interact. energy: -0.104 local terms energy: -26.786395 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -4.989 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -37.057680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.057680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.057680 (E_RNA) where: Base-Base interactions energy: -10.467 where: short stacking energy: -10.467 Base-Backbone interact. energy: -0.010 local terms energy: -26.581276 where: bonds (distance) C4'-P energy: -6.275 bonds (distance) P-C4' energy: -5.458 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -5.707 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: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -32.990876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.990876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.990876 (E_RNA) where: Base-Base interactions energy: -7.972 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.000 local terms energy: -25.019329 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.393 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -5.289 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: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -33.814371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.814371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.814371 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.001 local terms energy: -22.125617 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -2.488 tors. eta vs tors. theta energy: -0.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -29.103416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.103416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.103416 (E_RNA) where: Base-Base interactions energy: -8.008 where: short stacking energy: -8.008 Base-Backbone interact. energy: -0.289 local terms energy: -20.806081 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -3.597 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: 8, replica: 9 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -27.059111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.059111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.059111 (E_RNA) where: Base-Base interactions energy: -2.948 where: short stacking energy: -2.948 Base-Backbone interact. energy: -0.020 local terms energy: -24.090642 where: bonds (distance) C4'-P energy: -3.620 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -5.957 tors. eta vs tors. theta energy: -0.992 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: 9, replica: 3 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -31.481952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.481952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.481952 (E_RNA) where: Base-Base interactions energy: -7.049 where: short stacking energy: -7.049 Base-Backbone interact. energy: -0.131 local terms energy: -24.302106 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -3.049 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: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -30.661923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.661923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.661923 (E_RNA) where: Base-Base interactions energy: -6.734 where: short stacking energy: -6.734 Base-Backbone interact. energy: -0.002 local terms energy: -23.926873 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -2.664 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: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -36.358844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.358844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.358844 (E_RNA) where: Base-Base interactions energy: -7.410 where: short stacking energy: -7.410 Base-Backbone interact. energy: -0.095 local terms energy: -28.854170 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -5.539 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: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -41.086786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.086786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.086786 (E_RNA) where: Base-Base interactions energy: -15.273 where: short stacking energy: -14.844 Base-Backbone interact. energy: -0.033 local terms energy: -25.780492 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -4.278 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -39.634223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.634223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.634223 (E_RNA) where: Base-Base interactions energy: -12.265 where: short stacking energy: -12.265 Base-Backbone interact. energy: -0.016 local terms energy: -27.353973 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -4.439 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: 293 Temperature: 1.050000 Total energy: -35.925543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.925543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.925543 (E_RNA) where: Base-Base interactions energy: -7.789 where: short stacking energy: -5.944 Base-Backbone interact. energy: -0.035 local terms energy: -28.101548 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -32.830759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.830759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.830759 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -7.083 Base-Backbone interact. energy: -0.194 local terms energy: -21.378369 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -5.244 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: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -29.131584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.131584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.131584 (E_RNA) where: Base-Base interactions energy: -7.900 where: short stacking energy: -7.900 Base-Backbone interact. energy: -0.006 local terms energy: -21.225318 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -31.193221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.193221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.193221 (E_RNA) where: Base-Base interactions energy: -7.624 where: short stacking energy: -7.624 Base-Backbone interact. energy: -0.000 local terms energy: -23.568889 where: bonds (distance) C4'-P energy: -4.714 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -31.935778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.935778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.935778 (E_RNA) where: Base-Base interactions energy: -7.756 where: short stacking energy: -7.756 Base-Backbone interact. energy: -0.001 local terms energy: -24.179485 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -30.423627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.423627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.423627 (E_RNA) where: Base-Base interactions energy: -7.687 where: short stacking energy: -6.343 Base-Backbone interact. energy: -0.653 local terms energy: -22.083586 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -1.457 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: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -27.066127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.066127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.066127 (E_RNA) where: Base-Base interactions energy: -3.961 where: short stacking energy: -3.840 Base-Backbone interact. energy: 0.933 local terms energy: -24.038043 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.096 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: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -34.587941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.587941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.587941 (E_RNA) where: Base-Base interactions energy: -9.402 where: short stacking energy: -9.402 Base-Backbone interact. energy: -0.196 local terms energy: -24.990028 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -5.916 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: 2, replica: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -41.577929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.577929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.577929 (E_RNA) where: Base-Base interactions energy: -12.564 where: short stacking energy: -12.564 Base-Backbone interact. energy: -0.001 local terms energy: -29.013735 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -36.818342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.818342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.818342 (E_RNA) where: Base-Base interactions energy: -11.912 where: short stacking energy: -11.912 Base-Backbone interact. energy: -0.047 local terms energy: -24.859816 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -30.835434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.835434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.835434 (E_RNA) where: Base-Base interactions energy: -8.874 where: short stacking energy: -8.874 Base-Backbone interact. energy: -0.156 local terms energy: -21.805529 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.574 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: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -33.437306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.437306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.437306 (E_RNA) where: Base-Base interactions energy: -12.452 where: short stacking energy: -12.452 Base-Backbone interact. energy: -0.039 local terms energy: -20.946148 where: bonds (distance) C4'-P energy: -3.347 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -4.578 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: 6, replica: 4 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -31.381122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.381122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.381122 (E_RNA) where: Base-Base interactions energy: -7.813 where: short stacking energy: -7.486 Base-Backbone interact. energy: -0.639 local terms energy: -22.928890 where: bonds (distance) C4'-P energy: -4.597 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -35.560417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.560417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.560417 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.001 local terms energy: -24.925313 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -34.085466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.085466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.085466 (E_RNA) where: Base-Base interactions energy: -6.162 where: short stacking energy: -6.162 Base-Backbone interact. energy: -0.001 local terms energy: -27.922875 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -5.211 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: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -33.354252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.354252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.354252 (E_RNA) where: Base-Base interactions energy: -6.230 where: short stacking energy: -6.230 Base-Backbone interact. energy: -0.086 local terms energy: -27.038456 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.565 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -5.412 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: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -28.153928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.153928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.153928 (E_RNA) where: Base-Base interactions energy: -2.596 where: short stacking energy: -2.596 Base-Backbone interact. energy: -0.091 local terms energy: -25.467086 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.574 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: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -44.198700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.198700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.198700 (E_RNA) where: Base-Base interactions energy: -15.528 where: short stacking energy: -15.528 Base-Backbone interact. energy: -0.000 local terms energy: -28.670325 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -4.878 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: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -38.500331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.500331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.500331 (E_RNA) where: Base-Base interactions energy: -12.421 where: short stacking energy: -12.421 Base-Backbone interact. energy: -0.240 local terms energy: -25.839641 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -3.968 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: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -36.483511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.483511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.483511 (E_RNA) where: Base-Base interactions energy: -9.845 where: short stacking energy: -9.845 Base-Backbone interact. energy: -0.085 local terms energy: -26.554131 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -37.886527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.886527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.886527 (E_RNA) where: Base-Base interactions energy: -15.095 where: short stacking energy: -15.095 Base-Backbone interact. energy: -0.078 local terms energy: -22.713810 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -33.550723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.550723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.550723 (E_RNA) where: Base-Base interactions energy: -9.591 where: short stacking energy: -9.591 Base-Backbone interact. energy: -0.000 local terms energy: -23.960202 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -5.053 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -5.473 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -30.683748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.683748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.683748 (E_RNA) where: Base-Base interactions energy: -6.713 where: short stacking energy: -6.713 Base-Backbone interact. energy: -0.010 local terms energy: -23.961246 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -6.005 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: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -28.870738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.870738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.870738 (E_RNA) where: Base-Base interactions energy: -12.054 where: short stacking energy: -12.054 Base-Backbone interact. energy: -0.005 local terms energy: -16.811646 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -29.473379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.473379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.473379 (E_RNA) where: Base-Base interactions energy: -7.726 where: short stacking energy: -7.726 Base-Backbone interact. energy: -0.003 local terms energy: -21.744921 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -3.655 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: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -25.317572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.317572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.317572 (E_RNA) where: Base-Base interactions energy: -4.060 where: short stacking energy: -3.369 Base-Backbone interact. energy: -0.089 local terms energy: -21.169173 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -3.961 flat angles P-C4'-P energy: -2.230 tors. eta vs tors. theta energy: -2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -30.578379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.578379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.578379 (E_RNA) where: Base-Base interactions energy: -6.749 where: short stacking energy: -6.749 Base-Backbone interact. energy: -0.173 local terms energy: -23.656436 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -5.143 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: 1, replica: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -41.522070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.522070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.522070 (E_RNA) where: Base-Base interactions energy: -12.102 where: short stacking energy: -12.102 Base-Backbone interact. energy: -0.001 local terms energy: -29.418896 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -39.977414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.977414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.977414 (E_RNA) where: Base-Base interactions energy: -11.712 where: short stacking energy: -11.712 Base-Backbone interact. energy: -0.000 local terms energy: -28.265713 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -37.045065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.045065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.045065 (E_RNA) where: Base-Base interactions energy: -9.342 where: short stacking energy: -9.342 Base-Backbone interact. energy: -0.000 local terms energy: -27.702801 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -34.540881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.540881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.540881 (E_RNA) where: Base-Base interactions energy: -8.036 where: short stacking energy: -8.181 Base-Backbone interact. energy: -0.043 local terms energy: -26.461535 where: bonds (distance) C4'-P energy: -6.598 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -3.033 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: 5, replica: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -35.866012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.866012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.866012 (E_RNA) where: Base-Base interactions energy: -11.430 where: short stacking energy: -11.430 Base-Backbone interact. energy: -0.609 local terms energy: -23.826676 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: 0.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -32.045543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.045543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.045543 (E_RNA) where: Base-Base interactions energy: -8.380 where: short stacking energy: -8.380 Base-Backbone interact. energy: -0.119 local terms energy: -23.546551 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -3.341 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: 7, replica: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -31.696670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.696670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.696670 (E_RNA) where: Base-Base interactions energy: -5.810 where: short stacking energy: -5.810 Base-Backbone interact. energy: -0.003 local terms energy: -25.883475 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -6.392 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: 8, replica: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -37.511949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.511949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.511949 (E_RNA) where: Base-Base interactions energy: -11.854 where: short stacking energy: -11.679 Base-Backbone interact. energy: -0.096 local terms energy: -25.561764 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -5.699 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: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -28.034146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.034146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.034146 (E_RNA) where: Base-Base interactions energy: -5.925 where: short stacking energy: -5.925 Base-Backbone interact. energy: -0.168 local terms energy: -21.940843 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -5.393 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: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -30.362634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.362634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.362634 (E_RNA) where: Base-Base interactions energy: -6.604 where: short stacking energy: -6.604 Base-Backbone interact. energy: -0.000 local terms energy: -23.758250 where: bonds (distance) C4'-P energy: -3.690 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -5.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -36.235537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.235537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.235537 (E_RNA) where: Base-Base interactions energy: -12.310 where: short stacking energy: -12.310 Base-Backbone interact. energy: -1.422 local terms energy: -22.504200 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -2.826 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: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -41.587535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.587535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.587535 (E_RNA) where: Base-Base interactions energy: -12.972 where: short stacking energy: -12.972 Base-Backbone interact. energy: -0.000 local terms energy: -28.615359 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -5.891 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: 2 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -36.896300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.896300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.896300 (E_RNA) where: Base-Base interactions energy: -10.228 where: short stacking energy: -10.228 Base-Backbone interact. energy: -0.012 local terms energy: -26.656584 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -3.092 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: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -36.137719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.137719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.137719 (E_RNA) where: Base-Base interactions energy: -11.572 where: short stacking energy: -11.572 Base-Backbone interact. energy: -0.038 local terms energy: -24.527283 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -36.585751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.585751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.585751 (E_RNA) where: Base-Base interactions energy: -9.145 where: short stacking energy: -9.145 Base-Backbone interact. energy: -0.100 local terms energy: -27.340829 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -5.121 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: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -37.396925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.396925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.396925 (E_RNA) where: Base-Base interactions energy: -10.887 where: short stacking energy: -10.887 Base-Backbone interact. energy: -0.000 local terms energy: -26.509697 where: bonds (distance) C4'-P energy: -4.878 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -2.509 tors. eta vs tors. theta energy: -4.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -28.833415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.833415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.833415 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.093 local terms energy: -21.091760 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -4.174 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: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -31.310649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.310649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.310649 (E_RNA) where: Base-Base interactions energy: -5.504 where: short stacking energy: -5.504 Base-Backbone interact. energy: -0.002 local terms energy: -25.804734 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -4.371 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: 9, replica: 4 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -29.417804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.417804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.417804 (E_RNA) where: Base-Base interactions energy: -5.923 where: short stacking energy: -5.923 Base-Backbone interact. energy: -0.001 local terms energy: -23.493195 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -5.034 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: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -29.072974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.072974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.072974 (E_RNA) where: Base-Base interactions energy: -5.570 where: short stacking energy: -5.570 Base-Backbone interact. energy: -0.088 local terms energy: -23.415660 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: 1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -35.133222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.133222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.133222 (E_RNA) where: Base-Base interactions energy: -10.203 where: short stacking energy: -9.599 Base-Backbone interact. energy: -0.088 local terms energy: -24.842512 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -33.558274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.558274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.558274 (E_RNA) where: Base-Base interactions energy: -9.883 where: short stacking energy: -9.883 Base-Backbone interact. energy: -0.007 local terms energy: -23.668712 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -3.966 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: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -38.261666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.261666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.261666 (E_RNA) where: Base-Base interactions energy: -12.225 where: short stacking energy: -11.085 Base-Backbone interact. energy: -0.018 local terms energy: -26.018875 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -31.503291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.503291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.503291 (E_RNA) where: Base-Base interactions energy: -9.109 where: short stacking energy: -9.109 Base-Backbone interact. energy: -0.002 local terms energy: -22.392384 where: bonds (distance) C4'-P energy: -4.721 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -36.153077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.153077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.153077 (E_RNA) where: Base-Base interactions energy: -11.915 where: short stacking energy: -11.915 Base-Backbone interact. energy: -0.000 local terms energy: -24.237283 where: bonds (distance) C4'-P energy: -5.231 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -2.895 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: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -31.688871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.688871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.688871 (E_RNA) where: Base-Base interactions energy: -8.858 where: short stacking energy: -8.858 Base-Backbone interact. energy: -0.111 local terms energy: -22.719903 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -0.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -32.938866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.938866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.938866 (E_RNA) where: Base-Base interactions energy: -11.983 where: short stacking energy: -11.983 Base-Backbone interact. energy: -0.090 local terms energy: -20.865657 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -2.764 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: 298 Temperature: 1.250000 Total energy: -34.328596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.328596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.328596 (E_RNA) where: Base-Base interactions energy: -9.396 where: short stacking energy: -9.396 Base-Backbone interact. energy: -0.040 local terms energy: -24.892777 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -3.272 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: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -29.128760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.128760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.128760 (E_RNA) where: Base-Base interactions energy: -4.438 where: short stacking energy: -4.438 Base-Backbone interact. energy: -0.000 local terms energy: -24.690579 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -1.553 tors. eta vs tors. theta energy: -4.447 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: 10, replica: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -25.794457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.794457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.794457 (E_RNA) where: Base-Base interactions energy: -3.558 where: short stacking energy: -3.558 Base-Backbone interact. energy: -0.006 local terms energy: -22.230574 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -4.555 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: 1, replica: 7 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -38.906343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.906343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.906343 (E_RNA) where: Base-Base interactions energy: -11.717 where: short stacking energy: -11.717 Base-Backbone interact. energy: -0.000 local terms energy: -27.189152 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -37.411273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.411273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.411273 (E_RNA) where: Base-Base interactions energy: -10.931 where: short stacking energy: -10.931 Base-Backbone interact. energy: -0.007 local terms energy: -26.473061 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -5.234 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: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -31.944398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.944398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.944398 (E_RNA) where: Base-Base interactions energy: -12.518 where: short stacking energy: -12.518 Base-Backbone interact. energy: -0.007 local terms energy: -19.419509 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -1.671 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: 4, replica: 6 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -34.039307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.039307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.039307 (E_RNA) where: Base-Base interactions energy: -9.163 where: short stacking energy: -9.163 Base-Backbone interact. energy: -0.002 local terms energy: -24.874715 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -30.141274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.141274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.141274 (E_RNA) where: Base-Base interactions energy: -7.401 where: short stacking energy: -7.401 Base-Backbone interact. energy: 0.635 local terms energy: -23.375223 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -1.836 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: 6, replica: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -30.298604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.298604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.298604 (E_RNA) where: Base-Base interactions energy: -7.402 where: short stacking energy: -7.402 Base-Backbone interact. energy: -0.001 local terms energy: -22.895915 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -4.548 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: 7, replica: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -29.343338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.343338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.343338 (E_RNA) where: Base-Base interactions energy: -6.981 where: short stacking energy: -6.981 Base-Backbone interact. energy: -0.000 local terms energy: -22.362031 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -4.890 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: 299 Temperature: 1.250000 Total energy: -31.774583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.774583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.774583 (E_RNA) where: Base-Base interactions energy: -8.478 where: short stacking energy: -8.478 Base-Backbone interact. energy: -0.000 local terms energy: -23.296007 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -4.508 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -5.075 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: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -26.310147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.310147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.310147 (E_RNA) where: Base-Base interactions energy: -4.984 where: short stacking energy: -4.984 Base-Backbone interact. energy: -0.182 local terms energy: -21.143623 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: 2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -27.866878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.866878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.866878 (E_RNA) where: Base-Base interactions energy: -6.132 where: short stacking energy: -4.635 Base-Backbone interact. energy: -0.281 local terms energy: -21.453730 where: bonds (distance) C4'-P energy: -4.564 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -5.308 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: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -42.901474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.901474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.901474 (E_RNA) where: Base-Base interactions energy: -15.075 where: short stacking energy: -15.075 Base-Backbone interact. energy: -0.000 local terms energy: -27.826016 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -5.225 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: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -33.857815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.857815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.857815 (E_RNA) where: Base-Base interactions energy: -10.758 where: short stacking energy: -10.758 Base-Backbone interact. energy: -0.201 local terms energy: -22.898670 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -4.698 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -35.759351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.759351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.759351 (E_RNA) where: Base-Base interactions energy: -11.111 where: short stacking energy: -11.111 Base-Backbone interact. energy: -0.053 local terms energy: -24.595549 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -5.193 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: 4, replica: 6 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -32.740177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.740177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.740177 (E_RNA) where: Base-Base interactions energy: -8.089 where: short stacking energy: -8.089 Base-Backbone interact. energy: -0.194 local terms energy: -24.457094 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -5.622 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: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -34.727537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.727537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.727537 (E_RNA) where: Base-Base interactions energy: -9.311 where: short stacking energy: -9.311 Base-Backbone interact. energy: -0.003 local terms energy: -25.414068 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -2.689 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: 6, replica: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -35.951819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.951819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.951819 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.038 local terms energy: -24.159577 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -5.026 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -3.625 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: 7, replica: 10 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -31.283069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.283069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.283069 (E_RNA) where: Base-Base interactions energy: -6.317 where: short stacking energy: -6.317 Base-Backbone interact. energy: -0.344 local terms energy: -24.622157 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: 0.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -28.175475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.175475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.175475 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: -0.234 local terms energy: -19.838800 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -2.641 flat angles P-C4'-P energy: -4.710 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: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -29.725307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.725307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.725307 (E_RNA) where: Base-Base interactions energy: -8.296 where: short stacking energy: -8.296 Base-Backbone interact. energy: -0.002 local terms energy: -21.427160 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -2.616 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: 10, replica: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -29.194062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.194062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.194062 (E_RNA) where: Base-Base interactions energy: -8.908 where: short stacking energy: -8.325 Base-Backbone interact. energy: -0.051 local terms energy: -20.234781 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -30.227641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.227641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.227641 (E_RNA) where: Base-Base interactions energy: -7.445 where: short stacking energy: -7.346 Base-Backbone interact. energy: -0.222 local terms energy: -22.560747 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: 2.279 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: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -37.383291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.383291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.383291 (E_RNA) where: Base-Base interactions energy: -10.076 where: short stacking energy: -10.076 Base-Backbone interact. energy: -0.100 local terms energy: -27.208083 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -5.573 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: 7 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -36.016087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.016087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.016087 (E_RNA) where: Base-Base interactions energy: -11.724 where: short stacking energy: -11.734 Base-Backbone interact. energy: -0.978 local terms energy: -23.313410 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -5.385 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: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -33.193436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.193436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.193436 (E_RNA) where: Base-Base interactions energy: -8.545 where: short stacking energy: -8.545 Base-Backbone interact. energy: 1.372 local terms energy: -26.020912 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -2.991 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: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -35.118950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.118950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.118950 (E_RNA) where: Base-Base interactions energy: -9.837 where: short stacking energy: -9.837 Base-Backbone interact. energy: -0.000 local terms energy: -25.282121 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -1.760 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -30.448574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.448574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.448574 (E_RNA) where: Base-Base interactions energy: -10.508 where: short stacking energy: -10.508 Base-Backbone interact. energy: -0.516 local terms energy: -19.425144 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.166 flat angles P-C4'-P energy: -3.600 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: 7, replica: 2 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -30.036446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.036446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.036446 (E_RNA) where: Base-Base interactions energy: -4.230 where: short stacking energy: -4.230 Base-Backbone interact. energy: -0.014 local terms energy: -25.793116 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -3.113 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: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -27.825429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.825429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.825429 (E_RNA) where: Base-Base interactions energy: -6.309 where: short stacking energy: -6.309 Base-Backbone interact. energy: -0.010 local terms energy: -21.506616 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -5.787 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: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -27.590816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.590816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.590816 (E_RNA) where: Base-Base interactions energy: -1.264 where: short stacking energy: -1.264 Base-Backbone interact. energy: -0.001 local terms energy: -26.325734 where: bonds (distance) C4'-P energy: -5.674 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -3.893 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: 10, replica: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -30.923937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.923937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.923937 (E_RNA) where: Base-Base interactions energy: -7.697 where: short stacking energy: -7.697 Base-Backbone interact. energy: -0.003 local terms energy: -23.224010 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -39.479482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.479482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.479482 (E_RNA) where: Base-Base interactions energy: -14.684 where: short stacking energy: -14.684 Base-Backbone interact. energy: -0.000 local terms energy: -24.795330 where: bonds (distance) C4'-P energy: -5.036 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -1.974 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: 302 Temperature: 0.950000 Total energy: -33.661969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.661969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.661969 (E_RNA) where: Base-Base interactions energy: -8.061 where: short stacking energy: -8.061 Base-Backbone interact. energy: -0.007 local terms energy: -25.593856 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -6.320 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -36.012865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.012865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.012865 (E_RNA) where: Base-Base interactions energy: -10.175 where: short stacking energy: -10.175 Base-Backbone interact. energy: -0.000 local terms energy: -25.838088 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -33.463333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463333 (E_RNA) where: Base-Base interactions energy: -10.055 where: short stacking energy: -9.709 Base-Backbone interact. energy: -0.000 local terms energy: -23.408368 where: bonds (distance) C4'-P energy: -4.709 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -3.605 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: 5, replica: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -35.026500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.026500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.026500 (E_RNA) where: Base-Base interactions energy: -12.564 where: short stacking energy: -8.604 Base-Backbone interact. energy: -0.115 local terms energy: -22.347827 where: bonds (distance) C4'-P energy: -6.887 bonds (distance) P-C4' energy: -5.978 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: 0.046 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: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -31.308316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.308316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.308316 (E_RNA) where: Base-Base interactions energy: -10.857 where: short stacking energy: -10.857 Base-Backbone interact. energy: -0.030 local terms energy: -20.421429 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -2.798 tors. eta vs tors. theta energy: -1.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -31.134939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.134939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.134939 (E_RNA) where: Base-Base interactions energy: -6.532 where: short stacking energy: -6.532 Base-Backbone interact. energy: -0.098 local terms energy: -24.505366 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.722 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: 8, replica: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -27.231020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.231020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.231020 (E_RNA) where: Base-Base interactions energy: -7.677 where: short stacking energy: -7.677 Base-Backbone interact. energy: -0.018 local terms energy: -19.535449 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: 1.413 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: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -31.501055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.501055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.501055 (E_RNA) where: Base-Base interactions energy: -10.339 where: short stacking energy: -10.339 Base-Backbone interact. energy: -0.093 local terms energy: -21.069333 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -0.973 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: 10, replica: 9 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -27.367666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.367666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.367666 (E_RNA) where: Base-Base interactions energy: -7.128 where: short stacking energy: -4.714 Base-Backbone interact. energy: -0.238 local terms energy: -20.001784 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -1.670 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: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -37.217622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.217622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.217622 (E_RNA) where: Base-Base interactions energy: -12.183 where: short stacking energy: -12.183 Base-Backbone interact. energy: -0.103 local terms energy: -24.931009 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -3.965 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: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -37.640276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.640276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.640276 (E_RNA) where: Base-Base interactions energy: -11.625 where: short stacking energy: -11.625 Base-Backbone interact. energy: -0.071 local terms energy: -25.944811 where: bonds (distance) C4'-P energy: -4.437 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -4.823 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: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -35.563459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.563459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.563459 (E_RNA) where: Base-Base interactions energy: -9.046 where: short stacking energy: -9.046 Base-Backbone interact. energy: -0.129 local terms energy: -26.388637 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -5.502 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: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -32.906409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.906409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.906409 (E_RNA) where: Base-Base interactions energy: -11.747 where: short stacking energy: -11.747 Base-Backbone interact. energy: -0.045 local terms energy: -21.113879 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -3.619 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: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -38.413418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.413418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.413418 (E_RNA) where: Base-Base interactions energy: -12.437 where: short stacking energy: -11.947 Base-Backbone interact. energy: -0.000 local terms energy: -25.975490 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: 0.363 tors. eta vs tors. theta energy: -4.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -35.550930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.550930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.550930 (E_RNA) where: Base-Base interactions energy: -12.439 where: short stacking energy: -12.439 Base-Backbone interact. energy: -0.963 local terms energy: -22.148891 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -28.481334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.481334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.481334 (E_RNA) where: Base-Base interactions energy: -7.461 where: short stacking energy: -7.461 Base-Backbone interact. energy: -0.001 local terms energy: -21.018945 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -4.649 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: 8, replica: 1 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -30.533660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.533660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.533660 (E_RNA) where: Base-Base interactions energy: -5.171 where: short stacking energy: -5.171 Base-Backbone interact. energy: -0.001 local terms energy: -25.361563 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -29.922186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.922186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.922186 (E_RNA) where: Base-Base interactions energy: -7.506 where: short stacking energy: -7.228 Base-Backbone interact. energy: -0.002 local terms energy: -22.414559 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -2.908 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: 10, replica: 9 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -27.137364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.137364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.137364 (E_RNA) where: Base-Base interactions energy: -5.717 where: short stacking energy: -5.717 Base-Backbone interact. energy: -0.000 local terms energy: -21.419521 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -40.241618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.241618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.241618 (E_RNA) where: Base-Base interactions energy: -12.085 where: short stacking energy: -12.085 Base-Backbone interact. energy: -0.019 local terms energy: -28.137672 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -4.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -37.287687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.287687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.287687 (E_RNA) where: Base-Base interactions energy: -12.284 where: short stacking energy: -12.284 Base-Backbone interact. energy: -0.026 local terms energy: -24.976843 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -4.116 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: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -35.368298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.368298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.368298 (E_RNA) where: Base-Base interactions energy: -9.088 where: short stacking energy: -9.118 Base-Backbone interact. energy: -0.001 local terms energy: -26.279515 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -39.833297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.833297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.833297 (E_RNA) where: Base-Base interactions energy: -12.472 where: short stacking energy: -9.088 Base-Backbone interact. energy: -0.850 local terms energy: -26.511185 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -4.759 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: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -37.601549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.601549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.601549 (E_RNA) where: Base-Base interactions energy: -7.968 where: short stacking energy: -7.968 Base-Backbone interact. energy: -0.259 local terms energy: -29.374016 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -6.325 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: 6, replica: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -31.587764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.587764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.587764 (E_RNA) where: Base-Base interactions energy: -9.978 where: short stacking energy: -9.978 Base-Backbone interact. energy: -0.001 local terms energy: -21.608941 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -31.500319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.500319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.500319 (E_RNA) where: Base-Base interactions energy: -5.994 where: short stacking energy: -5.994 Base-Backbone interact. energy: -0.003 local terms energy: -25.503278 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -4.036 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: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -32.899945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.899945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.899945 (E_RNA) where: Base-Base interactions energy: -10.516 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.249 local terms energy: -22.135315 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: 1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -29.805157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.805157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.805157 (E_RNA) where: Base-Base interactions energy: -6.554 where: short stacking energy: -6.554 Base-Backbone interact. energy: -0.002 local terms energy: -23.249328 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -2.098 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: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -29.606637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.606637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.606637 (E_RNA) where: Base-Base interactions energy: -7.067 where: short stacking energy: -7.067 Base-Backbone interact. energy: -0.000 local terms energy: -22.539186 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.200 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.532 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: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -37.622192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.622192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.622192 (E_RNA) where: Base-Base interactions energy: -11.689 where: short stacking energy: -11.689 Base-Backbone interact. energy: -0.148 local terms energy: -25.785315 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -40.715106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.715106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.715106 (E_RNA) where: Base-Base interactions energy: -13.458 where: short stacking energy: -12.649 Base-Backbone interact. energy: -0.006 local terms energy: -27.251305 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -3.480 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: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -33.405124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.405124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.405124 (E_RNA) where: Base-Base interactions energy: -5.738 where: short stacking energy: -5.738 Base-Backbone interact. energy: -0.002 local terms energy: -27.664651 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -4.663 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: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -33.053942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.053942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.053942 (E_RNA) where: Base-Base interactions energy: -4.873 where: short stacking energy: -4.873 Base-Backbone interact. energy: -0.010 local terms energy: -28.170808 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -30.636859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.636859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.636859 (E_RNA) where: Base-Base interactions energy: -5.164 where: short stacking energy: -5.164 Base-Backbone interact. energy: -0.407 local terms energy: -25.065641 where: bonds (distance) C4'-P energy: -5.397 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -3.537 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: 6, replica: 1 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -41.894528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.894528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.894528 (E_RNA) where: Base-Base interactions energy: -14.882 where: short stacking energy: -14.882 Base-Backbone interact. energy: -0.000 local terms energy: -27.012035 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -34.164844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.164844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.164844 (E_RNA) where: Base-Base interactions energy: -7.217 where: short stacking energy: -7.217 Base-Backbone interact. energy: -0.000 local terms energy: -26.948043 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -29.258593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.258593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.258593 (E_RNA) where: Base-Base interactions energy: -7.819 where: short stacking energy: -7.819 Base-Backbone interact. energy: -0.003 local terms energy: -21.436500 where: bonds (distance) C4'-P energy: -3.496 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -31.582333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.582333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.582333 (E_RNA) where: Base-Base interactions energy: -9.389 where: short stacking energy: -9.389 Base-Backbone interact. energy: -0.000 local terms energy: -22.193407 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -30.044421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.044421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.044421 (E_RNA) where: Base-Base interactions energy: -5.002 where: short stacking energy: -5.002 Base-Backbone interact. energy: -0.001 local terms energy: -25.041954 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -4.958 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: 1, replica: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -43.605001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.605001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.605001 (E_RNA) where: Base-Base interactions energy: -13.951 where: short stacking energy: -13.951 Base-Backbone interact. energy: -0.000 local terms energy: -29.653732 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -5.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -37.492408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.492408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.492408 (E_RNA) where: Base-Base interactions energy: -11.206 where: short stacking energy: -11.206 Base-Backbone interact. energy: -0.067 local terms energy: -26.219236 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -36.154199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.154199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.154199 (E_RNA) where: Base-Base interactions energy: -10.223 where: short stacking energy: -10.223 Base-Backbone interact. energy: -0.002 local terms energy: -25.929321 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -33.434458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.434458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.434458 (E_RNA) where: Base-Base interactions energy: -6.843 where: short stacking energy: -6.843 Base-Backbone interact. energy: -0.019 local terms energy: -26.571722 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -5.660 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: 5, replica: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -30.361965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.361965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.361965 (E_RNA) where: Base-Base interactions energy: -8.677 where: short stacking energy: -8.677 Base-Backbone interact. energy: 1.661 local terms energy: -23.346507 where: bonds (distance) C4'-P energy: -4.374 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -5.549 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: 6, replica: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -30.882568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.882568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.882568 (E_RNA) where: Base-Base interactions energy: -7.505 where: short stacking energy: -7.505 Base-Backbone interact. energy: -0.001 local terms energy: -23.377182 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.435 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: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -29.869869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.869869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.869869 (E_RNA) where: Base-Base interactions energy: -7.199 where: short stacking energy: -7.199 Base-Backbone interact. energy: -0.141 local terms energy: -22.530554 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.731 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -4.854 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: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -28.344325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.344325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.344325 (E_RNA) where: Base-Base interactions energy: -10.036 where: short stacking energy: -9.747 Base-Backbone interact. energy: -0.091 local terms energy: -18.217944 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -2.768 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -30.959973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.959973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.959973 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -6.465 Base-Backbone interact. energy: -0.086 local terms energy: -22.985059 where: bonds (distance) C4'-P energy: -3.659 bonds (distance) P-C4' energy: -5.675 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -5.541 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: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -29.727449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.727449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.727449 (E_RNA) where: Base-Base interactions energy: -4.667 where: short stacking energy: -4.667 Base-Backbone interact. energy: -0.058 local terms energy: -25.001993 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -38.629980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.629980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.629980 (E_RNA) where: Base-Base interactions energy: -14.024 where: short stacking energy: -14.085 Base-Backbone interact. energy: -0.005 local terms energy: -24.600729 where: bonds (distance) C4'-P energy: -4.970 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -1.548 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: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -34.766795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.766795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.766795 (E_RNA) where: Base-Base interactions energy: -8.144 where: short stacking energy: -8.144 Base-Backbone interact. energy: -0.036 local terms energy: -26.587196 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -37.296544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.296544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.296544 (E_RNA) where: Base-Base interactions energy: -11.216 where: short stacking energy: -11.216 Base-Backbone interact. energy: -1.076 local terms energy: -25.004276 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -2.805 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: 4, replica: 1 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -33.737524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.737524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.737524 (E_RNA) where: Base-Base interactions energy: -7.498 where: short stacking energy: -7.498 Base-Backbone interact. energy: -0.095 local terms energy: -26.144216 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -3.349 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: 5, replica: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -32.127781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.127781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.127781 (E_RNA) where: Base-Base interactions energy: -9.503 where: short stacking energy: -7.927 Base-Backbone interact. energy: -0.070 local terms energy: -22.554537 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: 0.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -30.282747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.282747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.282747 (E_RNA) where: Base-Base interactions energy: -5.154 where: short stacking energy: -5.154 Base-Backbone interact. energy: -0.000 local terms energy: -25.128441 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -4.695 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: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -35.437071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.437071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.437071 (E_RNA) where: Base-Base interactions energy: -11.132 where: short stacking energy: -11.132 Base-Backbone interact. energy: -0.046 local terms energy: -24.258556 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -2.766 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: 8, replica: 2 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -30.439652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.439652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.439652 (E_RNA) where: Base-Base interactions energy: -6.719 where: short stacking energy: -6.719 Base-Backbone interact. energy: -0.002 local terms energy: -23.718241 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -3.490 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: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -32.040105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.040105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.040105 (E_RNA) where: Base-Base interactions energy: -7.053 where: short stacking energy: -7.053 Base-Backbone interact. energy: -0.034 local terms energy: -24.952562 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -5.320 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: 10, replica: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -28.668042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.668042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.668042 (E_RNA) where: Base-Base interactions energy: -4.118 where: short stacking energy: -4.118 Base-Backbone interact. energy: -0.000 local terms energy: -24.549317 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -3.116 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: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -38.933688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.933688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.933688 (E_RNA) where: Base-Base interactions energy: -12.158 where: short stacking energy: -12.158 Base-Backbone interact. energy: -0.062 local terms energy: -26.713128 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -35.662916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.662916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.662916 (E_RNA) where: Base-Base interactions energy: -8.670 where: short stacking energy: -8.670 Base-Backbone interact. energy: -0.094 local terms energy: -26.898540 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -0.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -31.877459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.877459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.877459 (E_RNA) where: Base-Base interactions energy: -4.654 where: short stacking energy: -4.654 Base-Backbone interact. energy: -0.357 local terms energy: -26.865936 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -41.799983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.799983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.799983 (E_RNA) where: Base-Base interactions energy: -15.724 where: short stacking energy: -15.724 Base-Backbone interact. energy: -0.038 local terms energy: -26.037722 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -3.834 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: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -27.344978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.344978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.344978 (E_RNA) where: Base-Base interactions energy: -7.873 where: short stacking energy: -7.873 Base-Backbone interact. energy: -0.034 local terms energy: -19.437619 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -3.324 flat angles P-C4'-P energy: -3.671 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: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -30.794604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.794604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.794604 (E_RNA) where: Base-Base interactions energy: -7.483 where: short stacking energy: -7.483 Base-Backbone interact. energy: -0.021 local terms energy: -23.289759 where: bonds (distance) C4'-P energy: -5.633 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -3.854 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: 7, replica: 2 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -33.165837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.165837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.165837 (E_RNA) where: Base-Base interactions energy: -8.794 where: short stacking energy: -8.794 Base-Backbone interact. energy: -0.003 local terms energy: -24.368911 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -31.683736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.683736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.683736 (E_RNA) where: Base-Base interactions energy: -8.141 where: short stacking energy: -7.989 Base-Backbone interact. energy: -0.124 local terms energy: -23.419175 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: 0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -30.431778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.431778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.431778 (E_RNA) where: Base-Base interactions energy: -3.837 where: short stacking energy: -3.837 Base-Backbone interact. energy: -0.051 local terms energy: -26.544028 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -25.709670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.709670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.709670 (E_RNA) where: Base-Base interactions energy: -5.428 where: short stacking energy: -5.428 Base-Backbone interact. energy: -0.000 local terms energy: -20.281644 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -1.070 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: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -37.703294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.703294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.703294 (E_RNA) where: Base-Base interactions energy: -12.002 where: short stacking energy: -12.002 Base-Backbone interact. energy: -0.006 local terms energy: -25.695388 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -42.093455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.093455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.093455 (E_RNA) where: Base-Base interactions energy: -14.767 where: short stacking energy: -13.552 Base-Backbone interact. energy: -0.014 local terms energy: -27.312744 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.991 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: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -34.608339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.608339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.608339 (E_RNA) where: Base-Base interactions energy: -10.253 where: short stacking energy: -10.253 Base-Backbone interact. energy: -0.000 local terms energy: -24.354750 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -35.598928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598928 (E_RNA) where: Base-Base interactions energy: -12.593 where: short stacking energy: -12.722 Base-Backbone interact. energy: -0.072 local terms energy: -22.933511 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -31.941946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.941946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.941946 (E_RNA) where: Base-Base interactions energy: -5.085 where: short stacking energy: -5.085 Base-Backbone interact. energy: -0.078 local terms energy: -26.778050 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -3.495 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -32.726679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.726679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.726679 (E_RNA) where: Base-Base interactions energy: -9.935 where: short stacking energy: -9.935 Base-Backbone interact. energy: -0.012 local terms energy: -22.779354 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -4.611 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: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -31.995088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.995088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.995088 (E_RNA) where: Base-Base interactions energy: -11.615 where: short stacking energy: -11.615 Base-Backbone interact. energy: -0.071 local terms energy: -20.308921 where: bonds (distance) C4'-P energy: -3.896 bonds (distance) P-C4' energy: -3.703 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -4.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -33.859156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.859156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.859156 (E_RNA) where: Base-Base interactions energy: -7.031 where: short stacking energy: -7.031 Base-Backbone interact. energy: -0.005 local terms energy: -26.823694 where: bonds (distance) C4'-P energy: -6.887 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -5.193 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: 9, replica: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -33.129724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.129724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.129724 (E_RNA) where: Base-Base interactions energy: -10.954 where: short stacking energy: -10.080 Base-Backbone interact. energy: -0.027 local terms energy: -22.148376 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -3.178 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: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -28.368751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.368751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.368751 (E_RNA) where: Base-Base interactions energy: -3.504 where: short stacking energy: -3.504 Base-Backbone interact. energy: -0.008 local terms energy: -24.856048 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -3.760 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: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -39.043568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.043568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.043568 (E_RNA) where: Base-Base interactions energy: -11.723 where: short stacking energy: -11.601 Base-Backbone interact. energy: -0.100 local terms energy: -27.220530 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -4.404 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: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -39.516061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.516061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.516061 (E_RNA) where: Base-Base interactions energy: -15.191 where: short stacking energy: -15.191 Base-Backbone interact. energy: -0.094 local terms energy: -24.231340 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -4.633 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: 3, replica: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -37.949483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.949483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.949483 (E_RNA) where: Base-Base interactions energy: -15.473 where: short stacking energy: -15.473 Base-Backbone interact. energy: -0.051 local terms energy: -22.424998 where: bonds (distance) C4'-P energy: -3.078 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -38.008532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.008532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.008532 (E_RNA) where: Base-Base interactions energy: -14.583 where: short stacking energy: -14.583 Base-Backbone interact. energy: -0.012 local terms energy: -23.413157 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -33.842791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.842791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.842791 (E_RNA) where: Base-Base interactions energy: -9.946 where: short stacking energy: -9.946 Base-Backbone interact. energy: -0.956 local terms energy: -22.940827 where: bonds (distance) C4'-P energy: -4.083 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -2.911 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: 6, replica: 1 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -32.062807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.062807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.062807 (E_RNA) where: Base-Base interactions energy: -5.643 where: short stacking energy: -5.643 Base-Backbone interact. energy: -0.032 local terms energy: -26.387421 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -4.703 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -5.427 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: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -28.548467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.548467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.548467 (E_RNA) where: Base-Base interactions energy: -6.137 where: short stacking energy: -6.137 Base-Backbone interact. energy: -0.003 local terms energy: -22.408845 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -2.762 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: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -33.152396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.152396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.152396 (E_RNA) where: Base-Base interactions energy: -10.671 where: short stacking energy: -10.671 Base-Backbone interact. energy: -0.026 local terms energy: -22.455527 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -3.649 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: 310 Temperature: 1.300000 Total energy: -37.059702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.059702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.059702 (E_RNA) where: Base-Base interactions energy: -11.444 where: short stacking energy: -11.444 Base-Backbone interact. energy: -0.008 local terms energy: -25.607333 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -3.684 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: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -28.537228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.537228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.537228 (E_RNA) where: Base-Base interactions energy: -7.892 where: short stacking energy: -7.892 Base-Backbone interact. energy: -0.072 local terms energy: -20.573130 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.091 flat angles P-C4'-P energy: -3.457 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: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -36.853791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.853791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.853791 (E_RNA) where: Base-Base interactions energy: -8.867 where: short stacking energy: -8.867 Base-Backbone interact. energy: -0.002 local terms energy: -27.984565 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -40.815854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.815854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.815854 (E_RNA) where: Base-Base interactions energy: -11.820 where: short stacking energy: -11.820 Base-Backbone interact. energy: -0.043 local terms energy: -28.951907 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -4.368 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: 311 Temperature: 1.000000 Total energy: -34.008591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.008591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.008591 (E_RNA) where: Base-Base interactions energy: -9.426 where: short stacking energy: -9.426 Base-Backbone interact. energy: -0.320 local terms energy: -24.263193 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -33.426013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.426013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.426013 (E_RNA) where: Base-Base interactions energy: -8.386 where: short stacking energy: -8.386 Base-Backbone interact. energy: -0.332 local terms energy: -24.707072 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -35.057425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.057425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.057425 (E_RNA) where: Base-Base interactions energy: -12.478 where: short stacking energy: -12.058 Base-Backbone interact. energy: -0.002 local terms energy: -22.577342 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -4.590 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: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -32.518860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.518860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.518860 (E_RNA) where: Base-Base interactions energy: -12.375 where: short stacking energy: -12.375 Base-Backbone interact. energy: -0.094 local terms energy: -20.050658 where: bonds (distance) C4'-P energy: -3.712 bonds (distance) P-C4' energy: -4.846 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -3.493 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: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -29.885061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.885061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.885061 (E_RNA) where: Base-Base interactions energy: -11.565 where: short stacking energy: -11.565 Base-Backbone interact. energy: -0.001 local terms energy: -18.318341 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -2.816 flat angles P-C4'-P energy: -3.481 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: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -29.317230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.317230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.317230 (E_RNA) where: Base-Base interactions energy: -6.249 where: short stacking energy: -5.322 Base-Backbone interact. energy: -0.009 local terms energy: -23.059005 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -2.844 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -6.282 tors. eta vs tors. theta energy: -0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -30.068998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.068998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.068998 (E_RNA) where: Base-Base interactions energy: -5.672 where: short stacking energy: -5.672 Base-Backbone interact. energy: -0.062 local terms energy: -24.334753 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -30.009276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.009276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.009276 (E_RNA) where: Base-Base interactions energy: -6.510 where: short stacking energy: -6.510 Base-Backbone interact. energy: -0.002 local terms energy: -23.497502 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: 0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -39.761698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.761698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.761698 (E_RNA) where: Base-Base interactions energy: -11.263 where: short stacking energy: -10.783 Base-Backbone interact. energy: -0.054 local terms energy: -28.444563 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -4.861 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: 2, replica: 9 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -38.383702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.383702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.383702 (E_RNA) where: Base-Base interactions energy: -11.726 where: short stacking energy: -11.726 Base-Backbone interact. energy: -0.000 local terms energy: -26.657319 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -4.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -37.281966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.281966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.281966 (E_RNA) where: Base-Base interactions energy: -11.573 where: short stacking energy: -11.573 Base-Backbone interact. energy: -0.004 local terms energy: -25.704741 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -3.641 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: 4, replica: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -35.420444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.420444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.420444 (E_RNA) where: Base-Base interactions energy: -14.327 where: short stacking energy: -14.327 Base-Backbone interact. energy: -0.004 local terms energy: -21.090184 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -1.791 tors. eta vs tors. theta energy: 0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -32.953190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.953190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.953190 (E_RNA) where: Base-Base interactions energy: -10.701 where: short stacking energy: -10.701 Base-Backbone interact. energy: -0.001 local terms energy: -22.251058 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -1.022 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: 8 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -32.662863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.662863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.662863 (E_RNA) where: Base-Base interactions energy: -7.655 where: short stacking energy: -7.655 Base-Backbone interact. energy: -0.084 local terms energy: -24.924392 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -5.715 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: 7, replica: 7 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -37.518892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.518892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.518892 (E_RNA) where: Base-Base interactions energy: -9.855 where: short stacking energy: -9.855 Base-Backbone interact. energy: -0.006 local terms energy: -27.657666 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -4.147 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: 1 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -29.052773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.052773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.052773 (E_RNA) where: Base-Base interactions energy: -5.880 where: short stacking energy: -5.880 Base-Backbone interact. energy: -0.016 local terms energy: -23.156274 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.597 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: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -27.516559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.516559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.516559 (E_RNA) where: Base-Base interactions energy: -4.926 where: short stacking energy: -4.205 Base-Backbone interact. energy: 0.138 local terms energy: -22.728553 where: bonds (distance) C4'-P energy: -3.976 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -4.692 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: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -31.828026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.828026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.828026 (E_RNA) where: Base-Base interactions energy: -14.935 where: short stacking energy: -14.935 Base-Backbone interact. energy: -0.021 local terms energy: -16.871916 where: bonds (distance) C4'-P energy: -2.755 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: 2.575 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: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -34.621012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.621012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.621012 (E_RNA) where: Base-Base interactions energy: -7.679 where: short stacking energy: -7.679 Base-Backbone interact. energy: -0.439 local terms energy: -26.502833 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -5.290 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: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -32.664990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.664990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.664990 (E_RNA) where: Base-Base interactions energy: -10.874 where: short stacking energy: -10.874 Base-Backbone interact. energy: -0.014 local terms energy: -21.776853 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -3.146 flat angles P-C4'-P energy: -2.116 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: 3, replica: 9 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -39.167799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.167799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.167799 (E_RNA) where: Base-Base interactions energy: -14.364 where: short stacking energy: -14.364 Base-Backbone interact. energy: -0.072 local terms energy: -24.731435 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -1.702 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: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -33.174819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.174819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.174819 (E_RNA) where: Base-Base interactions energy: -9.435 where: short stacking energy: -9.435 Base-Backbone interact. energy: -0.802 local terms energy: -22.938225 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -5.001 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: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -40.427905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.427905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.427905 (E_RNA) where: Base-Base interactions energy: -13.583 where: short stacking energy: -13.583 Base-Backbone interact. energy: -0.001 local terms energy: -26.844493 where: bonds (distance) C4'-P energy: -4.465 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -4.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -31.190125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.190125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.190125 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.001 local terms energy: -19.987835 where: bonds (distance) C4'-P energy: -4.449 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -3.253 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: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -29.134007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.134007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.134007 (E_RNA) where: Base-Base interactions energy: -8.670 where: short stacking energy: -8.670 Base-Backbone interact. energy: -0.028 local terms energy: -20.436279 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -1.024 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: 8, replica: 10 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -33.214738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.214738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.214738 (E_RNA) where: Base-Base interactions energy: -7.511 where: short stacking energy: -7.511 Base-Backbone interact. energy: -0.007 local terms energy: -25.695923 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: 1.504 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: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -26.274024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.274024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.274024 (E_RNA) where: Base-Base interactions energy: -3.577 where: short stacking energy: -3.577 Base-Backbone interact. energy: -0.155 local terms energy: -22.541609 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.921 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: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -30.593237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.593237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.593237 (E_RNA) where: Base-Base interactions energy: -7.354 where: short stacking energy: -7.354 Base-Backbone interact. energy: -0.003 local terms energy: -23.236081 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -38.156282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.156282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.156282 (E_RNA) where: Base-Base interactions energy: -13.585 where: short stacking energy: -13.585 Base-Backbone interact. energy: -0.001 local terms energy: -24.570596 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -38.144523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.144523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.144523 (E_RNA) where: Base-Base interactions energy: -11.079 where: short stacking energy: -11.079 Base-Backbone interact. energy: -0.001 local terms energy: -27.064108 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -37.377610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.377610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.377610 (E_RNA) where: Base-Base interactions energy: -13.404 where: short stacking energy: -13.404 Base-Backbone interact. energy: -0.017 local terms energy: -23.956265 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -4.810 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: 4, replica: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -34.811576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.811576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.811576 (E_RNA) where: Base-Base interactions energy: -9.462 where: short stacking energy: -9.462 Base-Backbone interact. energy: -0.000 local terms energy: -25.348897 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -4.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -35.332759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.332759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.332759 (E_RNA) where: Base-Base interactions energy: -10.637 where: short stacking energy: -10.637 Base-Backbone interact. energy: -0.005 local terms energy: -24.690831 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -33.095942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.095942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.095942 (E_RNA) where: Base-Base interactions energy: -5.768 where: short stacking energy: -5.768 Base-Backbone interact. energy: -0.003 local terms energy: -27.324869 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.809 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: 7, replica: 10 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -35.405510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.405510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.405510 (E_RNA) where: Base-Base interactions energy: -11.257 where: short stacking energy: -11.257 Base-Backbone interact. energy: -0.317 local terms energy: -23.831253 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -2.844 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: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -31.453123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.453123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.453123 (E_RNA) where: Base-Base interactions energy: -8.095 where: short stacking energy: -8.095 Base-Backbone interact. energy: -0.095 local terms energy: -23.263592 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -1.535 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: 9, replica: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -30.359710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.359710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.359710 (E_RNA) where: Base-Base interactions energy: -8.713 where: short stacking energy: -8.713 Base-Backbone interact. energy: -0.012 local terms energy: -21.634295 where: bonds (distance) C4'-P energy: -3.426 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -4.805 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: 10, replica: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -29.543106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.543106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.543106 (E_RNA) where: Base-Base interactions energy: -8.772 where: short stacking energy: -8.772 Base-Backbone interact. energy: -0.003 local terms energy: -20.767657 where: bonds (distance) C4'-P energy: -4.916 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -1.916 tors. eta vs tors. theta energy: -2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -37.162869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.162869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.162869 (E_RNA) where: Base-Base interactions energy: -13.274 where: short stacking energy: -12.386 Base-Backbone interact. energy: -0.032 local terms energy: -23.856777 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -4.024 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: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -37.960702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.960702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.960702 (E_RNA) where: Base-Base interactions energy: -7.301 where: short stacking energy: -7.371 Base-Backbone interact. energy: -0.002 local terms energy: -30.657364 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -5.861 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: 3, replica: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -37.620771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.620771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.620771 (E_RNA) where: Base-Base interactions energy: -11.251 where: short stacking energy: -11.251 Base-Backbone interact. energy: -0.016 local terms energy: -26.352912 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -4.586 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: 4, replica: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -33.473073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.473073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.473073 (E_RNA) where: Base-Base interactions energy: -6.183 where: short stacking energy: -6.183 Base-Backbone interact. energy: -0.091 local terms energy: -27.198280 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -4.017 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: 9 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -33.837819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.837819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.837819 (E_RNA) where: Base-Base interactions energy: -8.392 where: short stacking energy: -7.299 Base-Backbone interact. energy: -0.054 local terms energy: -25.391477 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -32.674151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.674151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.674151 (E_RNA) where: Base-Base interactions energy: -10.977 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.062 local terms energy: -21.634672 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -28.663491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.663491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.663491 (E_RNA) where: Base-Base interactions energy: -8.742 where: short stacking energy: -8.742 Base-Backbone interact. energy: -0.101 local terms energy: -19.820461 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -3.271 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -2.988 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: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -29.398102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.398102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.398102 (E_RNA) where: Base-Base interactions energy: -9.314 where: short stacking energy: -9.314 Base-Backbone interact. energy: -0.069 local terms energy: -20.014734 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -4.392 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: 9, replica: 8 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -30.999663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.999663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.999663 (E_RNA) where: Base-Base interactions energy: -7.275 where: short stacking energy: -7.275 Base-Backbone interact. energy: -0.000 local terms energy: -23.724468 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -0.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -29.176104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.176104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.176104 (E_RNA) where: Base-Base interactions energy: -5.471 where: short stacking energy: -4.911 Base-Backbone interact. energy: -0.504 local terms energy: -23.201238 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.033 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -42.453390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.453390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.453390 (E_RNA) where: Base-Base interactions energy: -12.710 where: short stacking energy: -12.710 Base-Backbone interact. energy: -0.058 local terms energy: -29.685888 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -5.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -36.886636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.886636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.886636 (E_RNA) where: Base-Base interactions energy: -11.973 where: short stacking energy: -11.973 Base-Backbone interact. energy: -0.003 local terms energy: -24.910447 where: bonds (distance) C4'-P energy: -5.058 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -2.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -35.971748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.971748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.971748 (E_RNA) where: Base-Base interactions energy: -12.691 where: short stacking energy: -12.691 Base-Backbone interact. energy: -0.016 local terms energy: -23.264821 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -2.609 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: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -31.938403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.938403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.938403 (E_RNA) where: Base-Base interactions energy: -5.198 where: short stacking energy: -5.198 Base-Backbone interact. energy: -0.094 local terms energy: -26.645501 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -39.184251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.184251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.184251 (E_RNA) where: Base-Base interactions energy: -11.838 where: short stacking energy: -11.838 Base-Backbone interact. energy: -0.086 local terms energy: -27.261030 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: -0.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -29.881294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.881294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.881294 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -6.687 Base-Backbone interact. energy: -0.005 local terms energy: -23.189895 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -5.029 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: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -28.354287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.354287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.354287 (E_RNA) where: Base-Base interactions energy: -3.233 where: short stacking energy: -3.233 Base-Backbone interact. energy: -0.009 local terms energy: -25.112406 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -5.179 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: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -31.039555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.039555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.039555 (E_RNA) where: Base-Base interactions energy: -4.001 where: short stacking energy: -4.001 Base-Backbone interact. energy: -0.000 local terms energy: -27.038224 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -1.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -32.441601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.441601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.441601 (E_RNA) where: Base-Base interactions energy: -9.599 where: short stacking energy: -9.599 Base-Backbone interact. energy: -0.223 local terms energy: -22.620003 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -3.276 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: 10, replica: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -26.433208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.433208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.433208 (E_RNA) where: Base-Base interactions energy: -3.321 where: short stacking energy: -3.321 Base-Backbone interact. energy: -0.007 local terms energy: -23.104923 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: 0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -38.605721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.605721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.605721 (E_RNA) where: Base-Base interactions energy: -12.979 where: short stacking energy: -12.979 Base-Backbone interact. energy: 0.221 local terms energy: -25.846894 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -38.920547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.920547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.920547 (E_RNA) where: Base-Base interactions energy: -10.059 where: short stacking energy: -10.059 Base-Backbone interact. energy: -0.002 local terms energy: -28.859014 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -4.335 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: 3, replica: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -33.914821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.914821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.914821 (E_RNA) where: Base-Base interactions energy: -6.441 where: short stacking energy: -6.441 Base-Backbone interact. energy: -0.135 local terms energy: -27.339210 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -5.416 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: 4, replica: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -35.863946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.863946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.863946 (E_RNA) where: Base-Base interactions energy: -10.165 where: short stacking energy: -9.681 Base-Backbone interact. energy: -0.131 local terms energy: -25.567500 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -5.649 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: 317 Temperature: 1.100000 Total energy: -37.221467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.221467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.221467 (E_RNA) where: Base-Base interactions energy: -9.572 where: short stacking energy: -9.572 Base-Backbone interact. energy: -0.000 local terms energy: -27.649743 where: bonds (distance) C4'-P energy: -3.020 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -35.729251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.729251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.729251 (E_RNA) where: Base-Base interactions energy: -9.904 where: short stacking energy: -9.904 Base-Backbone interact. energy: -0.000 local terms energy: -25.825140 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -3.661 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: 7, replica: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -30.061317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.061317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.061317 (E_RNA) where: Base-Base interactions energy: -4.390 where: short stacking energy: -4.390 Base-Backbone interact. energy: 0.261 local terms energy: -25.932537 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -29.278971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.278971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.278971 (E_RNA) where: Base-Base interactions energy: -10.739 where: short stacking energy: -10.739 Base-Backbone interact. energy: -0.033 local terms energy: -18.506876 where: bonds (distance) C4'-P energy: -2.664 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -30.057942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.057942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.057942 (E_RNA) where: Base-Base interactions energy: -6.744 where: short stacking energy: -6.744 Base-Backbone interact. energy: -0.011 local terms energy: -23.303048 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -2.164 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: 10, replica: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -29.665860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.665860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.665860 (E_RNA) where: Base-Base interactions energy: -7.172 where: short stacking energy: -5.502 Base-Backbone interact. energy: -0.036 local terms energy: -22.458050 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -40.841479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.841479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.841479 (E_RNA) where: Base-Base interactions energy: -11.973 where: short stacking energy: -11.973 Base-Backbone interact. energy: -0.000 local terms energy: -28.868563 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -3.970 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: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -40.192360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.192360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.192360 (E_RNA) where: Base-Base interactions energy: -12.288 where: short stacking energy: -12.288 Base-Backbone interact. energy: -0.001 local terms energy: -27.903920 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -4.217 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: 3, replica: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -37.628593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.628593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.628593 (E_RNA) where: Base-Base interactions energy: -11.749 where: short stacking energy: -11.749 Base-Backbone interact. energy: -0.005 local terms energy: -25.874219 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -36.471438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.471438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.471438 (E_RNA) where: Base-Base interactions energy: -10.615 where: short stacking energy: -10.594 Base-Backbone interact. energy: -0.101 local terms energy: -25.755678 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.565 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -0.589 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: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -35.963599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.963599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.963599 (E_RNA) where: Base-Base interactions energy: -10.566 where: short stacking energy: -10.566 Base-Backbone interact. energy: -0.066 local terms energy: -25.331200 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -30.285099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.285099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.285099 (E_RNA) where: Base-Base interactions energy: -5.477 where: short stacking energy: -5.477 Base-Backbone interact. energy: -0.223 local terms energy: -24.584944 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -33.999809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.999809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.999809 (E_RNA) where: Base-Base interactions energy: -8.082 where: short stacking energy: -8.082 Base-Backbone interact. energy: -0.057 local terms energy: -25.860816 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -30.547896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.547896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.547896 (E_RNA) where: Base-Base interactions energy: -6.389 where: short stacking energy: -6.389 Base-Backbone interact. energy: -0.000 local terms energy: -24.159097 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.379 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: 9, replica: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -32.475582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.475582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.475582 (E_RNA) where: Base-Base interactions energy: -10.657 where: short stacking energy: -10.657 Base-Backbone interact. energy: -0.001 local terms energy: -21.818013 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -2.350 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: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -35.784130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.784130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.784130 (E_RNA) where: Base-Base interactions energy: -11.834 where: short stacking energy: -11.834 Base-Backbone interact. energy: 0.022 local terms energy: -23.972415 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -3.237 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: 1, replica: 7 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -36.022138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.022138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.022138 (E_RNA) where: Base-Base interactions energy: -9.962 where: short stacking energy: -9.962 Base-Backbone interact. energy: -0.001 local terms energy: -26.059945 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -5.147 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: 10 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -42.508192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.508192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.508192 (E_RNA) where: Base-Base interactions energy: -13.032 where: short stacking energy: -13.032 Base-Backbone interact. energy: -0.003 local terms energy: -29.472989 where: bonds (distance) C4'-P energy: -5.293 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -5.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -35.721527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.721527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.721527 (E_RNA) where: Base-Base interactions energy: -10.315 where: short stacking energy: -10.315 Base-Backbone interact. energy: -0.139 local terms energy: -25.267795 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -37.474946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.474946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.474946 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.394 local terms energy: -27.047094 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -34.685640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.685640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.685640 (E_RNA) where: Base-Base interactions energy: -10.837 where: short stacking energy: -10.837 Base-Backbone interact. energy: -0.100 local terms energy: -23.748805 where: bonds (distance) C4'-P energy: -3.903 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -35.160367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.160367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.160367 (E_RNA) where: Base-Base interactions energy: -8.420 where: short stacking energy: -8.420 Base-Backbone interact. energy: -0.087 local terms energy: -26.653379 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -31.197471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.197471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.197471 (E_RNA) where: Base-Base interactions energy: -8.925 where: short stacking energy: -8.925 Base-Backbone interact. energy: -0.227 local terms energy: -22.044686 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.057 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -29.341709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.341709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.341709 (E_RNA) where: Base-Base interactions energy: -6.434 where: short stacking energy: -6.434 Base-Backbone interact. energy: -0.015 local terms energy: -22.892992 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -1.540 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: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -30.688586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.688586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.688586 (E_RNA) where: Base-Base interactions energy: -4.898 where: short stacking energy: -4.898 Base-Backbone interact. energy: -0.000 local terms energy: -25.790814 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.368 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: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -28.471545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.471545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.471545 (E_RNA) where: Base-Base interactions energy: -9.498 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.001 local terms energy: -18.972553 where: bonds (distance) C4'-P energy: -3.481 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -1.296 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: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -36.538565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.538565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.538565 (E_RNA) where: Base-Base interactions energy: -8.888 where: short stacking energy: -7.830 Base-Backbone interact. energy: -0.016 local terms energy: -27.634541 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -5.257 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: 2, replica: 7 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -44.007266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.007266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.007266 (E_RNA) where: Base-Base interactions energy: -14.877 where: short stacking energy: -14.877 Base-Backbone interact. energy: -0.002 local terms energy: -29.127470 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -3.166 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: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -38.071111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.071111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.071111 (E_RNA) where: Base-Base interactions energy: -12.060 where: short stacking energy: -12.060 Base-Backbone interact. energy: -0.005 local terms energy: -26.006743 where: bonds (distance) C4'-P energy: -4.465 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -5.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -35.782347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.782347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.782347 (E_RNA) where: Base-Base interactions energy: -11.577 where: short stacking energy: -9.702 Base-Backbone interact. energy: -0.045 local terms energy: -24.160652 where: bonds (distance) C4'-P energy: -4.387 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -32.082643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.082643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.082643 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.008 local terms energy: -24.619991 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -5.606 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: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -33.863562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.863562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.863562 (E_RNA) where: Base-Base interactions energy: -11.748 where: short stacking energy: -11.748 Base-Backbone interact. energy: -0.019 local terms energy: -22.096308 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -4.153 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -5.284 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: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -32.906427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.906427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.906427 (E_RNA) where: Base-Base interactions energy: -8.632 where: short stacking energy: -8.632 Base-Backbone interact. energy: -0.052 local terms energy: -24.223067 where: bonds (distance) C4'-P energy: -5.359 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -27.833931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.833931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.833931 (E_RNA) where: Base-Base interactions energy: -3.174 where: short stacking energy: -3.174 Base-Backbone interact. energy: -0.056 local terms energy: -24.604261 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: 0.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -30.043946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.043946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.043946 (E_RNA) where: Base-Base interactions energy: -7.412 where: short stacking energy: -7.412 Base-Backbone interact. energy: -0.060 local terms energy: -22.571974 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -5.102 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: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -29.848174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.848174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.848174 (E_RNA) where: Base-Base interactions energy: -7.605 where: short stacking energy: -7.605 Base-Backbone interact. energy: -0.215 local terms energy: -22.028613 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: 0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -37.872134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.872134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.872134 (E_RNA) where: Base-Base interactions energy: -12.484 where: short stacking energy: -12.484 Base-Backbone interact. energy: -0.027 local terms energy: -25.360760 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -3.425 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: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -40.533024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.533024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.533024 (E_RNA) where: Base-Base interactions energy: -12.264 where: short stacking energy: -12.264 Base-Backbone interact. energy: -0.002 local terms energy: -28.267698 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -5.297 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: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -36.465218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.465218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.465218 (E_RNA) where: Base-Base interactions energy: -13.009 where: short stacking energy: -13.009 Base-Backbone interact. energy: -0.094 local terms energy: -23.362452 where: bonds (distance) C4'-P energy: -3.674 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -5.285 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: 4, replica: 6 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -33.690942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.690942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.690942 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -5.388 Base-Backbone interact. energy: -0.047 local terms energy: -23.397760 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -4.454 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: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -33.725635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.725635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.725635 (E_RNA) where: Base-Base interactions energy: -6.685 where: short stacking energy: -5.517 Base-Backbone interact. energy: -0.004 local terms energy: -27.036355 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -2.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -37.418956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.418956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.418956 (E_RNA) where: Base-Base interactions energy: -11.171 where: short stacking energy: -11.171 Base-Backbone interact. energy: -0.077 local terms energy: -26.171004 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -29.829944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.829944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.829944 (E_RNA) where: Base-Base interactions energy: -5.850 where: short stacking energy: -5.850 Base-Backbone interact. energy: -0.004 local terms energy: -23.975600 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -32.166338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.166338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.166338 (E_RNA) where: Base-Base interactions energy: -8.493 where: short stacking energy: -8.493 Base-Backbone interact. energy: -0.006 local terms energy: -23.667286 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -2.196 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: 9, replica: 3 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -32.414800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.414800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.414800 (E_RNA) where: Base-Base interactions energy: -7.866 where: short stacking energy: -7.866 Base-Backbone interact. energy: -0.000 local terms energy: -24.549113 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: 0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -26.643365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.643365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.643365 (E_RNA) where: Base-Base interactions energy: 0.434 where: short stacking energy: -0.073 Base-Backbone interact. energy: -0.006 local terms energy: -27.071411 where: bonds (distance) C4'-P energy: -6.373 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -4.873 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: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -35.465490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.465490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.465490 (E_RNA) where: Base-Base interactions energy: -7.397 where: short stacking energy: -7.479 Base-Backbone interact. energy: -0.086 local terms energy: -27.982870 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -37.851970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.851970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.851970 (E_RNA) where: Base-Base interactions energy: -11.799 where: short stacking energy: -11.799 Base-Backbone interact. energy: -0.005 local terms energy: -26.047714 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -33.338224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.338224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.338224 (E_RNA) where: Base-Base interactions energy: -6.907 where: short stacking energy: -6.907 Base-Backbone interact. energy: -0.117 local terms energy: -26.313659 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -37.834166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.834166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.834166 (E_RNA) where: Base-Base interactions energy: -12.037 where: short stacking energy: -12.037 Base-Backbone interact. energy: -0.001 local terms energy: -25.796916 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -5.104 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -30.201375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.201375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.201375 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.335 local terms energy: -22.841837 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: 1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -32.163670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.163670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.163670 (E_RNA) where: Base-Base interactions energy: -9.118 where: short stacking energy: -9.118 Base-Backbone interact. energy: -0.030 local terms energy: -23.016508 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -5.891 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -3.691 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: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -30.962683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.962683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.962683 (E_RNA) where: Base-Base interactions energy: -6.617 where: short stacking energy: -6.617 Base-Backbone interact. energy: -0.008 local terms energy: -24.337838 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -5.863 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: 8, replica: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -29.671962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.671962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.671962 (E_RNA) where: Base-Base interactions energy: -7.540 where: short stacking energy: -7.540 Base-Backbone interact. energy: -0.003 local terms energy: -22.128890 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.187 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: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -30.305585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.305585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.305585 (E_RNA) where: Base-Base interactions energy: -6.178 where: short stacking energy: -6.178 Base-Backbone interact. energy: -0.000 local terms energy: -24.127126 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -3.260 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: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -27.874435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.874435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.874435 (E_RNA) where: Base-Base interactions energy: -7.107 where: short stacking energy: -7.107 Base-Backbone interact. energy: -0.101 local terms energy: -20.667274 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: 1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -37.598249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.598249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.598249 (E_RNA) where: Base-Base interactions energy: -10.553 where: short stacking energy: -10.553 Base-Backbone interact. energy: -0.074 local terms energy: -26.971547 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -3.397 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: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -38.640333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.640333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.640333 (E_RNA) where: Base-Base interactions energy: -11.865 where: short stacking energy: -11.865 Base-Backbone interact. energy: -0.002 local terms energy: -26.773400 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -1.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -38.015615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.015615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.015615 (E_RNA) where: Base-Base interactions energy: -16.081 where: short stacking energy: -16.081 Base-Backbone interact. energy: -0.102 local terms energy: -21.832434 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -3.354 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: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -33.430359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.430359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.430359 (E_RNA) where: Base-Base interactions energy: -9.166 where: short stacking energy: -9.166 Base-Backbone interact. energy: -0.001 local terms energy: -24.262386 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -4.361 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -30.952945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.952945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.952945 (E_RNA) where: Base-Base interactions energy: -5.702 where: short stacking energy: -5.702 Base-Backbone interact. energy: -0.133 local terms energy: -25.118519 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -4.337 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: 6, replica: 1 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -31.434389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.434389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.434389 (E_RNA) where: Base-Base interactions energy: -6.634 where: short stacking energy: -6.634 Base-Backbone interact. energy: -0.000 local terms energy: -24.800524 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -30.489122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.489122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.489122 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.016 local terms energy: -22.860053 where: bonds (distance) C4'-P energy: -3.703 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -1.443 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: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -32.702372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.702372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.702372 (E_RNA) where: Base-Base interactions energy: -8.927 where: short stacking energy: -8.927 Base-Backbone interact. energy: -0.031 local terms energy: -23.743785 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -1.043 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: 9, replica: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -29.215966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.215966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.215966 (E_RNA) where: Base-Base interactions energy: -7.443 where: short stacking energy: -6.511 Base-Backbone interact. energy: -0.001 local terms energy: -21.771745 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -3.074 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: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -31.775801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.775801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.775801 (E_RNA) where: Base-Base interactions energy: -11.276 where: short stacking energy: -11.276 Base-Backbone interact. energy: -0.036 local terms energy: -20.463751 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -1.971 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: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -41.970537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.970537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.970537 (E_RNA) where: Base-Base interactions energy: -14.946 where: short stacking energy: -14.946 Base-Backbone interact. energy: -0.000 local terms energy: -27.024142 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.310 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: 4 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -40.939880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.939880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.939880 (E_RNA) where: Base-Base interactions energy: -14.523 where: short stacking energy: -14.523 Base-Backbone interact. energy: -0.346 local terms energy: -26.070316 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -5.056 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -5.400 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: 324 Temperature: 1.000000 Total energy: -34.958069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.958069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.958069 (E_RNA) where: Base-Base interactions energy: -6.705 where: short stacking energy: -6.705 Base-Backbone interact. energy: -0.005 local terms energy: -28.248703 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -3.482 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: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -31.475817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.475817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.475817 (E_RNA) where: Base-Base interactions energy: -7.398 where: short stacking energy: -6.525 Base-Backbone interact. energy: -0.752 local terms energy: -23.325752 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -5.670 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: 5, replica: 1 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -33.364022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.364022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.364022 (E_RNA) where: Base-Base interactions energy: -10.355 where: short stacking energy: -10.355 Base-Backbone interact. energy: -0.014 local terms energy: -22.995525 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -3.952 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -31.645559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.645559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.645559 (E_RNA) where: Base-Base interactions energy: -10.961 where: short stacking energy: -10.961 Base-Backbone interact. energy: -0.041 local terms energy: -20.643295 where: bonds (distance) C4'-P energy: -4.721 bonds (distance) P-C4' energy: -4.930 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -5.172 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: 7, replica: 9 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -32.428890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.428890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.428890 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: -10.144 Base-Backbone interact. energy: -0.000 local terms energy: -22.284311 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -0.267 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: 8, replica: 2 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -29.532600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.532600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.532600 (E_RNA) where: Base-Base interactions energy: -8.061 where: short stacking energy: -6.709 Base-Backbone interact. energy: -0.001 local terms energy: -21.470485 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -2.290 flat angles P-C4'-P energy: -2.422 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: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -29.154100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.154100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.154100 (E_RNA) where: Base-Base interactions energy: -8.058 where: short stacking energy: -6.367 Base-Backbone interact. energy: -0.058 local terms energy: -21.038554 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: 1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -28.143746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.143746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.143746 (E_RNA) where: Base-Base interactions energy: -6.322 where: short stacking energy: -5.937 Base-Backbone interact. energy: -0.113 local terms energy: -21.708540 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -3.707 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: 1, replica: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -38.369351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.369351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.369351 (E_RNA) where: Base-Base interactions energy: -12.611 where: short stacking energy: -12.611 Base-Backbone interact. energy: -0.002 local terms energy: -25.756106 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -40.846832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.846832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.846832 (E_RNA) where: Base-Base interactions energy: -13.295 where: short stacking energy: -13.295 Base-Backbone interact. energy: -0.000 local terms energy: -27.551480 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -5.813 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: 3, replica: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -38.336584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.336584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.336584 (E_RNA) where: Base-Base interactions energy: -12.940 where: short stacking energy: -12.940 Base-Backbone interact. energy: -0.001 local terms energy: -25.395173 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -4.124 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: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -35.212857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.212857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.212857 (E_RNA) where: Base-Base interactions energy: -7.335 where: short stacking energy: -7.335 Base-Backbone interact. energy: -0.032 local terms energy: -27.845993 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -5.039 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: 10 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -37.355173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.355173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.355173 (E_RNA) where: Base-Base interactions energy: -15.462 where: short stacking energy: -14.892 Base-Backbone interact. energy: -0.010 local terms energy: -21.883499 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.509 flat angles P-C4'-P energy: -3.419 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: 6, replica: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -31.545779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.545779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.545779 (E_RNA) where: Base-Base interactions energy: -7.740 where: short stacking energy: -7.740 Base-Backbone interact. energy: -0.135 local terms energy: -23.670500 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: 0.301 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: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -33.720784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.720784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.720784 (E_RNA) where: Base-Base interactions energy: -4.085 where: short stacking energy: -4.085 Base-Backbone interact. energy: -0.000 local terms energy: -29.635662 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -5.361 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: 8, replica: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -28.880578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.880578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.880578 (E_RNA) where: Base-Base interactions energy: -4.976 where: short stacking energy: -4.976 Base-Backbone interact. energy: -0.016 local terms energy: -23.888838 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 325 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: -8.745 where: short stacking energy: -8.745 Base-Backbone interact. energy: -0.068 local terms energy: -21.082352 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -1.164 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: 10, replica: 5 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -28.658434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.658434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.658434 (E_RNA) where: Base-Base interactions energy: -5.198 where: short stacking energy: -5.198 Base-Backbone interact. energy: -0.085 local terms energy: -23.374757 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.335 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: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -39.819550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.819550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.819550 (E_RNA) where: Base-Base interactions energy: -13.731 where: short stacking energy: -13.731 Base-Backbone interact. energy: -0.000 local terms energy: -26.088138 where: bonds (distance) C4'-P energy: -3.455 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -6.034 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: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -34.807252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.807252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.807252 (E_RNA) where: Base-Base interactions energy: -7.786 where: short stacking energy: -7.786 Base-Backbone interact. energy: -0.016 local terms energy: -27.005467 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -36.967857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.967857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.967857 (E_RNA) where: Base-Base interactions energy: -13.646 where: short stacking energy: -13.646 Base-Backbone interact. energy: -0.017 local terms energy: -23.304991 where: bonds (distance) C4'-P energy: -3.695 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -35.795631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.795631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.795631 (E_RNA) where: Base-Base interactions energy: -7.432 where: short stacking energy: -7.432 Base-Backbone interact. energy: -0.026 local terms energy: -28.337426 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -34.060308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.060308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.060308 (E_RNA) where: Base-Base interactions energy: -10.686 where: short stacking energy: -10.686 Base-Backbone interact. energy: -0.164 local terms energy: -23.210219 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -3.269 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: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -28.210462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.210462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.210462 (E_RNA) where: Base-Base interactions energy: -6.965 where: short stacking energy: -6.965 Base-Backbone interact. energy: -0.145 local terms energy: -21.100171 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -3.090 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: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -30.771831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.771831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.771831 (E_RNA) where: Base-Base interactions energy: -9.650 where: short stacking energy: -10.304 Base-Backbone interact. energy: -0.091 local terms energy: -21.030181 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -4.713 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: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -33.300676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.300676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.300676 (E_RNA) where: Base-Base interactions energy: -7.122 where: short stacking energy: -7.122 Base-Backbone interact. energy: -0.003 local terms energy: -26.175102 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.089 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: 9, replica: 5 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -32.815649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.815649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.815649 (E_RNA) where: Base-Base interactions energy: -7.628 where: short stacking energy: -7.628 Base-Backbone interact. energy: -0.001 local terms energy: -25.187432 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -4.648 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: 10, replica: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -30.200313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.200313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.200313 (E_RNA) where: Base-Base interactions energy: -5.224 where: short stacking energy: -4.131 Base-Backbone interact. energy: -0.064 local terms energy: -24.911592 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -3.556 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: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -35.604309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.604309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.604309 (E_RNA) where: Base-Base interactions energy: -7.681 where: short stacking energy: -7.681 Base-Backbone interact. energy: -0.000 local terms energy: -27.923681 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -39.221407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.221407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.221407 (E_RNA) where: Base-Base interactions energy: -11.199 where: short stacking energy: -11.199 Base-Backbone interact. energy: -0.001 local terms energy: -28.021701 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -1.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -37.552196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.552196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.552196 (E_RNA) where: Base-Base interactions energy: -10.748 where: short stacking energy: -10.748 Base-Backbone interact. energy: -0.095 local terms energy: -26.708824 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -35.234127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.234127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.234127 (E_RNA) where: Base-Base interactions energy: -10.971 where: short stacking energy: -10.971 Base-Backbone interact. energy: -0.009 local terms energy: -24.254840 where: bonds (distance) C4'-P energy: -4.386 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -4.634 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: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -36.337589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.337589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.337589 (E_RNA) where: Base-Base interactions energy: -7.890 where: short stacking energy: -7.890 Base-Backbone interact. energy: -0.001 local terms energy: -28.446468 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -3.943 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: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -28.797965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.797965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.797965 (E_RNA) where: Base-Base interactions energy: -6.239 where: short stacking energy: -2.773 Base-Backbone interact. energy: -0.018 local terms energy: -22.540227 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: 2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -28.601335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.601335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.601335 (E_RNA) where: Base-Base interactions energy: -6.294 where: short stacking energy: -6.294 Base-Backbone interact. energy: -0.000 local terms energy: -22.307629 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -1.386 flat angles P-C4'-P energy: -5.221 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: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -29.533149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.533149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.533149 (E_RNA) where: Base-Base interactions energy: -5.609 where: short stacking energy: -5.609 Base-Backbone interact. energy: -0.000 local terms energy: -23.923406 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.955 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: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -26.851186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.851186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.851186 (E_RNA) where: Base-Base interactions energy: -2.635 where: short stacking energy: -2.635 Base-Backbone interact. energy: -0.010 local terms energy: -24.206237 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -5.506 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: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -30.140026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.140026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.140026 (E_RNA) where: Base-Base interactions energy: -7.350 where: short stacking energy: -7.350 Base-Backbone interact. energy: -0.003 local terms energy: -22.787256 where: bonds (distance) C4'-P energy: -4.179 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -1.664 tors. eta vs tors. theta energy: -3.930 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: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -37.172685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.172685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.172685 (E_RNA) where: Base-Base interactions energy: -11.237 where: short stacking energy: -11.237 Base-Backbone interact. energy: -1.194 local terms energy: -24.741668 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -40.180050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.180050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.180050 (E_RNA) where: Base-Base interactions energy: -13.053 where: short stacking energy: -13.053 Base-Backbone interact. energy: -0.111 local terms energy: -27.016886 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -5.632 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: 3, replica: 9 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -33.062059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.062059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.062059 (E_RNA) where: Base-Base interactions energy: -9.043 where: short stacking energy: -9.043 Base-Backbone interact. energy: -0.003 local terms energy: -24.015827 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -3.639 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: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -34.845482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.845482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.845482 (E_RNA) where: Base-Base interactions energy: -11.485 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.000 local terms energy: -23.360430 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -2.841 tors. eta vs tors. theta energy: -2.604 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: 5, replica: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -34.264023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.264023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.264023 (E_RNA) where: Base-Base interactions energy: -8.148 where: short stacking energy: -8.148 Base-Backbone interact. energy: -0.629 local terms energy: -25.486295 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -3.624 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: 6, replica: 4 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -32.255141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.255141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.255141 (E_RNA) where: Base-Base interactions energy: -8.691 where: short stacking energy: -8.691 Base-Backbone interact. energy: -0.002 local terms energy: -23.562124 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -4.402 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: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -31.143656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.143656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.143656 (E_RNA) where: Base-Base interactions energy: -6.379 where: short stacking energy: -6.479 Base-Backbone interact. energy: -0.018 local terms energy: -24.747131 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -2.980 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: 8, replica: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -29.510008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.510008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.510008 (E_RNA) where: Base-Base interactions energy: -5.941 where: short stacking energy: -5.941 Base-Backbone interact. energy: -0.032 local terms energy: -23.536694 where: bonds (distance) C4'-P energy: -5.785 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -1.973 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -29.272753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.272753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.272753 (E_RNA) where: Base-Base interactions energy: -6.509 where: short stacking energy: -6.509 Base-Backbone interact. energy: -0.003 local terms energy: -22.760297 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -2.996 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: 10, replica: 2 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -26.811181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.811181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.811181 (E_RNA) where: Base-Base interactions energy: -5.624 where: short stacking energy: -5.624 Base-Backbone interact. energy: -0.950 local terms energy: -20.237167 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: 0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -43.760213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.760213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.760213 (E_RNA) where: Base-Base interactions energy: -11.118 where: short stacking energy: -10.361 Base-Backbone interact. energy: -0.000 local terms energy: -32.641833 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -8.009 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: 9 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -34.067614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.067614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.067614 (E_RNA) where: Base-Base interactions energy: -6.548 where: short stacking energy: -6.548 Base-Backbone interact. energy: -0.008 local terms energy: -27.512126 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -46.886547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.886547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.886547 (E_RNA) where: Base-Base interactions energy: -15.218 where: short stacking energy: -15.218 Base-Backbone interact. energy: -0.000 local terms energy: -31.668864 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -5.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -35.695474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.695474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.695474 (E_RNA) where: Base-Base interactions energy: -11.490 where: short stacking energy: -11.490 Base-Backbone interact. energy: 0.569 local terms energy: -24.774401 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -3.898 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: 5, replica: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -36.247705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.247705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.247705 (E_RNA) where: Base-Base interactions energy: -12.621 where: short stacking energy: -11.429 Base-Backbone interact. energy: -0.063 local terms energy: -23.563883 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -5.194 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: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -34.457811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.457811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.457811 (E_RNA) where: Base-Base interactions energy: -9.156 where: short stacking energy: -9.156 Base-Backbone interact. energy: -0.003 local terms energy: -25.298770 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -0.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -30.160109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.160109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.160109 (E_RNA) where: Base-Base interactions energy: -7.304 where: short stacking energy: -3.225 Base-Backbone interact. energy: 0.892 local terms energy: -23.747738 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -4.810 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: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -38.025473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.025473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.025473 (E_RNA) where: Base-Base interactions energy: -9.890 where: short stacking energy: -9.890 Base-Backbone interact. energy: -0.000 local terms energy: -28.135408 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -3.915 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: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -31.321726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.321726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.321726 (E_RNA) where: Base-Base interactions energy: -8.036 where: short stacking energy: -8.036 Base-Backbone interact. energy: -0.061 local terms energy: -23.224727 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -4.131 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: 10, replica: 2 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -28.122650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.122650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.122650 (E_RNA) where: Base-Base interactions energy: -9.734 where: short stacking energy: -9.734 Base-Backbone interact. energy: -0.020 local terms energy: -18.368620 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -2.038 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: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -36.282697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.282697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.282697 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.118 local terms energy: -24.466407 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -5.297 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: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -36.939119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.939119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.939119 (E_RNA) where: Base-Base interactions energy: -10.894 where: short stacking energy: -10.894 Base-Backbone interact. energy: -0.079 local terms energy: -25.966618 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -4.790 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: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -41.397073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.397073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.397073 (E_RNA) where: Base-Base interactions energy: -13.100 where: short stacking energy: -13.100 Base-Backbone interact. energy: -0.037 local terms energy: -28.260757 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -4.031 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: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -36.720617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.720617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.720617 (E_RNA) where: Base-Base interactions energy: -8.933 where: short stacking energy: -8.933 Base-Backbone interact. energy: -0.000 local terms energy: -27.787597 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -1.943 tors. eta vs tors. theta energy: -5.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -32.024619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.024619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.024619 (E_RNA) where: Base-Base interactions energy: -7.075 where: short stacking energy: -7.075 Base-Backbone interact. energy: 0.129 local terms energy: -25.079149 where: bonds (distance) C4'-P energy: -7.139 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: 1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -30.772017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.772017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.772017 (E_RNA) where: Base-Base interactions energy: -7.939 where: short stacking energy: -7.939 Base-Backbone interact. energy: -0.001 local terms energy: -22.832584 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -4.662 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: 7, replica: 7 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -32.897833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.897833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.897833 (E_RNA) where: Base-Base interactions energy: -13.140 where: short stacking energy: -13.140 Base-Backbone interact. energy: -0.082 local terms energy: -19.675615 where: bonds (distance) C4'-P energy: -4.258 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: 0.759 tors. eta vs tors. theta energy: -3.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -35.642116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.642116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.642116 (E_RNA) where: Base-Base interactions energy: -10.869 where: short stacking energy: -10.869 Base-Backbone interact. energy: -0.003 local terms energy: -24.769967 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -4.827 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -5.764 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: 9, replica: 2 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -26.322126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.322126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.322126 (E_RNA) where: Base-Base interactions energy: -0.791 where: short stacking energy: -0.791 Base-Backbone interact. energy: -0.000 local terms energy: -25.531498 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -5.158 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: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -26.944483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.944483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.944483 (E_RNA) where: Base-Base interactions energy: -6.355 where: short stacking energy: -6.455 Base-Backbone interact. energy: -0.001 local terms energy: -20.588227 where: bonds (distance) C4'-P energy: -4.568 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -3.991 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: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -38.962170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.962170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.962170 (E_RNA) where: Base-Base interactions energy: -11.646 where: short stacking energy: -11.756 Base-Backbone interact. energy: -0.013 local terms energy: -27.303428 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -4.670 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: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -39.742565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.742565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.742565 (E_RNA) where: Base-Base interactions energy: -11.950 where: short stacking energy: -11.950 Base-Backbone interact. energy: -0.001 local terms energy: -27.791079 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -37.809929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.809929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.809929 (E_RNA) where: Base-Base interactions energy: -11.009 where: short stacking energy: -11.009 Base-Backbone interact. energy: 0.576 local terms energy: -27.377007 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -2.997 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: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -36.318679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.318679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.318679 (E_RNA) where: Base-Base interactions energy: -10.980 where: short stacking energy: -10.980 Base-Backbone interact. energy: -0.000 local terms energy: -25.338810 where: bonds (distance) C4'-P energy: -3.642 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -4.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -34.132932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.132932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.132932 (E_RNA) where: Base-Base interactions energy: -3.372 where: short stacking energy: -3.372 Base-Backbone interact. energy: -0.001 local terms energy: -30.760329 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -6.335 tors. eta vs tors. theta energy: -5.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -38.555870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.555870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.555870 (E_RNA) where: Base-Base interactions energy: -11.797 where: short stacking energy: -11.797 Base-Backbone interact. energy: 0.289 local terms energy: -27.047408 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -3.436 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: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -35.027767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.027767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.027767 (E_RNA) where: Base-Base interactions energy: -11.272 where: short stacking energy: -11.272 Base-Backbone interact. energy: -0.009 local terms energy: -23.746770 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -31.072987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.072987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.072987 (E_RNA) where: Base-Base interactions energy: -7.021 where: short stacking energy: -7.021 Base-Backbone interact. energy: -0.064 local terms energy: -23.988658 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -4.824 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: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -27.990283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.990283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.990283 (E_RNA) where: Base-Base interactions energy: -5.697 where: short stacking energy: -5.697 Base-Backbone interact. energy: -0.016 local terms energy: -22.277447 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: 0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -30.111503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.111503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.111503 (E_RNA) where: Base-Base interactions energy: -10.100 where: short stacking energy: -10.100 Base-Backbone interact. energy: -0.008 local terms energy: -20.002649 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -31.992530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.992530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.992530 (E_RNA) where: Base-Base interactions energy: -8.569 where: short stacking energy: -8.569 Base-Backbone interact. energy: -0.046 local terms energy: -23.377514 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -2.740 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: 2, replica: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -38.589427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.589427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.589427 (E_RNA) where: Base-Base interactions energy: -10.030 where: short stacking energy: -10.030 Base-Backbone interact. energy: -0.010 local terms energy: -28.549548 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -4.698 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: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -38.699091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.699091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.699091 (E_RNA) where: Base-Base interactions energy: -12.253 where: short stacking energy: -12.253 Base-Backbone interact. energy: -0.000 local terms energy: -26.446135 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -2.750 tors. eta vs tors. theta energy: -5.691 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: 8 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -34.465787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.465787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.465787 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.001 local terms energy: -22.766420 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -0.983 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: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -31.852959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.852959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.852959 (E_RNA) where: Base-Base interactions energy: -5.972 where: short stacking energy: -4.930 Base-Backbone interact. energy: -0.037 local terms energy: -25.844237 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -33.554003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.554003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.554003 (E_RNA) where: Base-Base interactions energy: -9.909 where: short stacking energy: -9.909 Base-Backbone interact. energy: -0.002 local terms energy: -23.643178 where: bonds (distance) C4'-P energy: -3.011 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -3.424 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: 7, replica: 2 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -29.689635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.689635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.689635 (E_RNA) where: Base-Base interactions energy: -7.226 where: short stacking energy: -7.226 Base-Backbone interact. energy: -0.011 local terms energy: -22.451988 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -3.048 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: 6 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -31.496404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.496404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.496404 (E_RNA) where: Base-Base interactions energy: -8.965 where: short stacking energy: -8.965 Base-Backbone interact. energy: -0.008 local terms energy: -22.522915 where: bonds (distance) C4'-P energy: -2.602 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -3.229 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: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -32.956385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.956385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.956385 (E_RNA) where: Base-Base interactions energy: -9.493 where: short stacking energy: -9.493 Base-Backbone interact. energy: -0.000 local terms energy: -23.462861 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.380 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: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -27.744199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.744199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.744199 (E_RNA) where: Base-Base interactions energy: -6.575 where: short stacking energy: -6.575 Base-Backbone interact. energy: -0.111 local terms energy: -21.058357 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -3.207 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: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -39.115982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.115982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.115982 (E_RNA) where: Base-Base interactions energy: -10.111 where: short stacking energy: -10.111 Base-Backbone interact. energy: -0.000 local terms energy: -29.005249 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -4.332 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: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -34.451297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.451297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.451297 (E_RNA) where: Base-Base interactions energy: -7.702 where: short stacking energy: -7.702 Base-Backbone interact. energy: -0.086 local terms energy: -26.663673 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.847 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: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -33.295634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.295634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.295634 (E_RNA) where: Base-Base interactions energy: -8.196 where: short stacking energy: -8.196 Base-Backbone interact. energy: -0.002 local terms energy: -25.097599 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -3.521 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: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -37.258295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.258295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.258295 (E_RNA) where: Base-Base interactions energy: -6.748 where: short stacking energy: -6.748 Base-Backbone interact. energy: -0.008 local terms energy: -30.501784 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -30.313386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.313386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.313386 (E_RNA) where: Base-Base interactions energy: -6.783 where: short stacking energy: -6.783 Base-Backbone interact. energy: -0.009 local terms energy: -23.521041 where: bonds (distance) C4'-P energy: -4.259 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -4.719 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: 6, replica: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -27.056358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.056358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.056358 (E_RNA) where: Base-Base interactions energy: -3.822 where: short stacking energy: -3.822 Base-Backbone interact. energy: -0.321 local terms energy: -22.912802 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: 2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -34.025914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.025914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.025914 (E_RNA) where: Base-Base interactions energy: -8.373 where: short stacking energy: -8.373 Base-Backbone interact. energy: -0.865 local terms energy: -24.788203 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -5.061 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: 8, replica: 10 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -31.521952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.521952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.521952 (E_RNA) where: Base-Base interactions energy: -8.791 where: short stacking energy: -8.791 Base-Backbone interact. energy: -0.000 local terms energy: -22.730520 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -5.394 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: 9, replica: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -27.575044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.575044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.575044 (E_RNA) where: Base-Base interactions energy: -4.118 where: short stacking energy: -4.118 Base-Backbone interact. energy: -0.002 local terms energy: -23.454987 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -27.137829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.137829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.137829 (E_RNA) where: Base-Base interactions energy: -5.719 where: short stacking energy: -5.719 Base-Backbone interact. energy: 0.400 local terms energy: -21.819350 where: bonds (distance) C4'-P energy: -3.638 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -41.850102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.850102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.850102 (E_RNA) where: Base-Base interactions energy: -14.786 where: short stacking energy: -14.786 Base-Backbone interact. energy: -0.004 local terms energy: -27.060203 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -4.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -44.586231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.586231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.586231 (E_RNA) where: Base-Base interactions energy: -18.643 where: short stacking energy: -15.433 Base-Backbone interact. energy: -0.510 local terms energy: -25.433085 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -39.341061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.341061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.341061 (E_RNA) where: Base-Base interactions energy: -10.476 where: short stacking energy: -10.476 Base-Backbone interact. energy: -0.068 local terms energy: -28.797637 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -4.366 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: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -32.161162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.161162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.161162 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: -7.801 Base-Backbone interact. energy: -0.134 local terms energy: -24.225962 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -32.206996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.206996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.206996 (E_RNA) where: Base-Base interactions energy: -5.595 where: short stacking energy: -5.595 Base-Backbone interact. energy: -0.018 local terms energy: -26.594096 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -5.479 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: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -36.029661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.029661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.029661 (E_RNA) where: Base-Base interactions energy: -10.651 where: short stacking energy: -10.651 Base-Backbone interact. energy: -0.028 local terms energy: -25.350433 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -3.655 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: 334 Temperature: 1.200000 Total energy: -31.630604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.630604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.630604 (E_RNA) where: Base-Base interactions energy: -11.318 where: short stacking energy: -11.318 Base-Backbone interact. energy: -0.172 local terms energy: -20.140814 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.647 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: 8, replica: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -34.366319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.366319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.366319 (E_RNA) where: Base-Base interactions energy: -7.854 where: short stacking energy: -7.854 Base-Backbone interact. energy: -0.007 local terms energy: -26.505020 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -5.794 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: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -26.292565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.292565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.292565 (E_RNA) where: Base-Base interactions energy: -6.434 where: short stacking energy: -6.434 Base-Backbone interact. energy: -0.012 local terms energy: -19.845750 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: 0.166 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -27.131176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.131176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.131176 (E_RNA) where: Base-Base interactions energy: -5.604 where: short stacking energy: -5.604 Base-Backbone interact. energy: -0.006 local terms energy: -21.521038 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -3.305 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: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -42.997658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.997658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.997658 (E_RNA) where: Base-Base interactions energy: -13.144 where: short stacking energy: -13.144 Base-Backbone interact. energy: -0.000 local terms energy: -29.853217 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -4.604 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: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -34.847080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.847080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.847080 (E_RNA) where: Base-Base interactions energy: -13.567 where: short stacking energy: -13.567 Base-Backbone interact. energy: -0.159 local terms energy: -21.120953 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -0.675 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: 3, replica: 9 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -37.959406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.959406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.959406 (E_RNA) where: Base-Base interactions energy: -12.817 where: short stacking energy: -12.817 Base-Backbone interact. energy: -0.007 local terms energy: -25.136305 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -0.992 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: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -34.888592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.888592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.888592 (E_RNA) where: Base-Base interactions energy: -8.262 where: short stacking energy: -8.262 Base-Backbone interact. energy: -0.000 local terms energy: -26.626603 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -4.562 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: 5, replica: 3 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -34.407937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.407937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.407937 (E_RNA) where: Base-Base interactions energy: -10.827 where: short stacking energy: -10.827 Base-Backbone interact. energy: -0.003 local terms energy: -23.578543 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -5.362 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: 6, replica: 10 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -34.463805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.463805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.463805 (E_RNA) where: Base-Base interactions energy: -11.231 where: short stacking energy: -11.231 Base-Backbone interact. energy: -0.023 local terms energy: -23.209967 where: bonds (distance) C4'-P energy: -4.395 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -1.389 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -35.570114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.570114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.570114 (E_RNA) where: Base-Base interactions energy: -11.942 where: short stacking energy: -11.942 Base-Backbone interact. energy: -0.000 local terms energy: -23.627697 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -2.181 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: 8, replica: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -35.098001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.098001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.098001 (E_RNA) where: Base-Base interactions energy: -9.365 where: short stacking energy: -9.365 Base-Backbone interact. energy: -0.006 local terms energy: -25.726982 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -5.054 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: 9, replica: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -29.113704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.113704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.113704 (E_RNA) where: Base-Base interactions energy: -6.944 where: short stacking energy: -6.944 Base-Backbone interact. energy: -0.001 local terms energy: -22.168850 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -4.735 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: 10, replica: 6 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -30.086875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.086875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.086875 (E_RNA) where: Base-Base interactions energy: -5.006 where: short stacking energy: -5.006 Base-Backbone interact. energy: -0.100 local terms energy: -24.981084 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -4.262 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: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -37.236710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.236710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.236710 (E_RNA) where: Base-Base interactions energy: -10.029 where: short stacking energy: -10.029 Base-Backbone interact. energy: -0.028 local terms energy: -27.179790 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -34.403050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403050 (E_RNA) where: Base-Base interactions energy: -11.649 where: short stacking energy: -11.649 Base-Backbone interact. energy: -0.079 local terms energy: -22.674980 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: 0.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -36.306176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.306176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.306176 (E_RNA) where: Base-Base interactions energy: -7.504 where: short stacking energy: -7.665 Base-Backbone interact. energy: -0.009 local terms energy: -28.793116 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -5.010 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: 4, replica: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -36.954738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.954738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.954738 (E_RNA) where: Base-Base interactions energy: -12.884 where: short stacking energy: -12.884 Base-Backbone interact. energy: -0.008 local terms energy: -24.061936 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -33.401175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.401175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.401175 (E_RNA) where: Base-Base interactions energy: -6.084 where: short stacking energy: -6.084 Base-Backbone interact. energy: 0.270 local terms energy: -27.587305 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -5.748 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: 3 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -33.055367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.055367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.055367 (E_RNA) where: Base-Base interactions energy: -11.143 where: short stacking energy: -11.143 Base-Backbone interact. energy: -0.090 local terms energy: -21.822423 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: 1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -30.993183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.993183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.993183 (E_RNA) where: Base-Base interactions energy: -5.904 where: short stacking energy: -5.904 Base-Backbone interact. energy: -0.090 local terms energy: -24.998226 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -4.040 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: 8, replica: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -32.961469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.961469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.961469 (E_RNA) where: Base-Base interactions energy: -7.896 where: short stacking energy: -7.896 Base-Backbone interact. energy: -0.001 local terms energy: -25.065077 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -2.340 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -32.234557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.234557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.234557 (E_RNA) where: Base-Base interactions energy: -13.814 where: short stacking energy: -13.048 Base-Backbone interact. energy: -0.108 local terms energy: -18.313200 where: bonds (distance) C4'-P energy: -1.935 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -27.845026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.845026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.845026 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.002 local terms energy: -20.114275 where: bonds (distance) C4'-P energy: -3.819 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -2.740 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: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -37.094497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.094497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.094497 (E_RNA) where: Base-Base interactions energy: -7.129 where: short stacking energy: -7.129 Base-Backbone interact. energy: -1.054 local terms energy: -28.912333 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -5.343 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: 2, replica: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -38.494530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.494530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.494530 (E_RNA) where: Base-Base interactions energy: -10.498 where: short stacking energy: -10.498 Base-Backbone interact. energy: -0.011 local terms energy: -27.985676 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -5.729 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: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -34.760063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.760063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.760063 (E_RNA) where: Base-Base interactions energy: -11.432 where: short stacking energy: -11.432 Base-Backbone interact. energy: -0.000 local terms energy: -23.327559 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -3.526 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: 4, replica: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -34.326494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.326494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.326494 (E_RNA) where: Base-Base interactions energy: -7.576 where: short stacking energy: -7.576 Base-Backbone interact. energy: -0.009 local terms energy: -26.740855 where: bonds (distance) C4'-P energy: -4.304 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -6.413 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: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -36.026216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.026216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.026216 (E_RNA) where: Base-Base interactions energy: -10.199 where: short stacking energy: -10.199 Base-Backbone interact. energy: -0.003 local terms energy: -25.824602 where: bonds (distance) C4'-P energy: -4.378 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -27.366975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.366975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.366975 (E_RNA) where: Base-Base interactions energy: -5.289 where: short stacking energy: -4.957 Base-Backbone interact. energy: -0.079 local terms energy: -21.998667 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: 0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -30.269881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.269881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.269881 (E_RNA) where: Base-Base interactions energy: -8.680 where: short stacking energy: -8.680 Base-Backbone interact. energy: -0.014 local terms energy: -21.575262 where: bonds (distance) C4'-P energy: -4.420 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -4.104 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: 8, replica: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -27.785689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.785689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.785689 (E_RNA) where: Base-Base interactions energy: -7.794 where: short stacking energy: -7.794 Base-Backbone interact. energy: -0.078 local terms energy: -19.913530 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: 0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -28.296259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.296259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.296259 (E_RNA) where: Base-Base interactions energy: -5.867 where: short stacking energy: -5.867 Base-Backbone interact. energy: -0.029 local terms energy: -22.400580 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -28.338149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.338149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.338149 (E_RNA) where: Base-Base interactions energy: -7.338 where: short stacking energy: -7.338 Base-Backbone interact. energy: -0.082 local terms energy: -20.917758 where: bonds (distance) C4'-P energy: -4.940 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -3.594 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: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -44.057191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.057191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.057191 (E_RNA) where: Base-Base interactions energy: -14.166 where: short stacking energy: -14.166 Base-Backbone interact. energy: -0.000 local terms energy: -29.890808 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -6.707 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: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -35.003022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.003022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.003022 (E_RNA) where: Base-Base interactions energy: -7.585 where: short stacking energy: -7.585 Base-Backbone interact. energy: -0.001 local terms energy: -27.416712 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -3.825 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: 3, replica: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -40.112054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.112054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.112054 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.128 local terms energy: -27.901387 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -5.341 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: 4, replica: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -33.485312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.485312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.485312 (E_RNA) where: Base-Base interactions energy: -12.373 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.008 local terms energy: -21.104409 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -2.120 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: 5, replica: 9 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -35.560904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.560904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.560904 (E_RNA) where: Base-Base interactions energy: -12.245 where: short stacking energy: -8.542 Base-Backbone interact. energy: -0.003 local terms energy: -23.313377 where: bonds (distance) C4'-P energy: -2.101 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -3.129 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -4.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -33.115532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.115532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.115532 (E_RNA) where: Base-Base interactions energy: -10.539 where: short stacking energy: -10.539 Base-Backbone interact. energy: -0.011 local terms energy: -22.565432 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -4.717 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -4.543 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: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -28.560199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.560199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.560199 (E_RNA) where: Base-Base interactions energy: -9.837 where: short stacking energy: -9.380 Base-Backbone interact. energy: -0.102 local terms energy: -18.620659 where: bonds (distance) C4'-P energy: -4.286 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -3.526 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: 3 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -29.623498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.623498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.623498 (E_RNA) where: Base-Base interactions energy: -6.447 where: short stacking energy: -6.447 Base-Backbone interact. energy: -0.010 local terms energy: -23.166729 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.443 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -26.380792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.380792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.380792 (E_RNA) where: Base-Base interactions energy: -4.613 where: short stacking energy: -4.613 Base-Backbone interact. energy: -0.030 local terms energy: -21.737632 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: 1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -31.794497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.794497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.794497 (E_RNA) where: Base-Base interactions energy: -8.912 where: short stacking energy: -8.912 Base-Backbone interact. energy: -0.044 local terms energy: -22.838660 where: bonds (distance) C4'-P energy: -3.356 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -37.816237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.816237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.816237 (E_RNA) where: Base-Base interactions energy: -8.751 where: short stacking energy: -8.751 Base-Backbone interact. energy: -0.000 local terms energy: -29.065379 where: bonds (distance) C4'-P energy: -6.129 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -5.096 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: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -37.051627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.051627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.051627 (E_RNA) where: Base-Base interactions energy: -11.857 where: short stacking energy: -11.857 Base-Backbone interact. energy: -0.000 local terms energy: -25.194668 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -3.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -34.751843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.751843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.751843 (E_RNA) where: Base-Base interactions energy: -9.983 where: short stacking energy: -9.983 Base-Backbone interact. energy: -0.000 local terms energy: -24.769007 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -34.427971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.427971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.427971 (E_RNA) where: Base-Base interactions energy: -10.348 where: short stacking energy: -10.348 Base-Backbone interact. energy: -0.001 local terms energy: -24.078456 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -2.280 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -3.344 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: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -34.621020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.621020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.621020 (E_RNA) where: Base-Base interactions energy: -9.344 where: short stacking energy: -9.902 Base-Backbone interact. energy: -0.000 local terms energy: -25.276540 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -4.844 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: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -34.515492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.515492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.515492 (E_RNA) where: Base-Base interactions energy: -8.266 where: short stacking energy: -8.266 Base-Backbone interact. energy: -0.008 local terms energy: -26.241581 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -32.062285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.062285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.062285 (E_RNA) where: Base-Base interactions energy: -7.893 where: short stacking energy: -7.893 Base-Backbone interact. energy: -0.002 local terms energy: -24.167697 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -3.933 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: 3 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -31.761274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.761274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.761274 (E_RNA) where: Base-Base interactions energy: -5.495 where: short stacking energy: -5.495 Base-Backbone interact. energy: -0.000 local terms energy: -26.265925 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -3.728 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -5.273 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: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -33.273925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.273925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.273925 (E_RNA) where: Base-Base interactions energy: -11.263 where: short stacking energy: -11.263 Base-Backbone interact. energy: 1.835 local terms energy: -23.845249 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -3.196 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: 5 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -27.219725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.219725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.219725 (E_RNA) where: Base-Base interactions energy: -9.818 where: short stacking energy: -7.832 Base-Backbone interact. energy: -0.241 local terms energy: -17.160214 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: 3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -38.494411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.494411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.494411 (E_RNA) where: Base-Base interactions energy: -11.538 where: short stacking energy: -11.538 Base-Backbone interact. energy: -0.000 local terms energy: -26.955945 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -39.907980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.907980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.907980 (E_RNA) where: Base-Base interactions energy: -14.096 where: short stacking energy: -14.096 Base-Backbone interact. energy: -0.018 local terms energy: -25.793860 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -37.017449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.017449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.017449 (E_RNA) where: Base-Base interactions energy: -13.634 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.052 local terms energy: -23.331514 where: bonds (distance) C4'-P energy: -4.749 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -2.381 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -35.545007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.545007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.545007 (E_RNA) where: Base-Base interactions energy: -11.208 where: short stacking energy: -11.208 Base-Backbone interact. energy: -0.020 local terms energy: -24.316507 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -3.855 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: 5, replica: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -39.516312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.516312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.516312 (E_RNA) where: Base-Base interactions energy: -12.879 where: short stacking energy: -12.879 Base-Backbone interact. energy: -0.072 local terms energy: -26.565230 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -4.411 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: 9 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -34.099529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.099529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.099529 (E_RNA) where: Base-Base interactions energy: -10.614 where: short stacking energy: -10.614 Base-Backbone interact. energy: -0.001 local terms energy: -23.484322 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -3.723 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: 7, replica: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -34.906100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.906100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.906100 (E_RNA) where: Base-Base interactions energy: -10.720 where: short stacking energy: -10.720 Base-Backbone interact. energy: -0.000 local terms energy: -24.186298 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -4.704 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -31.647876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.647876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.647876 (E_RNA) where: Base-Base interactions energy: -6.860 where: short stacking energy: -6.860 Base-Backbone interact. energy: -0.000 local terms energy: -24.787343 where: bonds (distance) C4'-P energy: -3.434 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -4.576 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: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -32.394696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.394696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.394696 (E_RNA) where: Base-Base interactions energy: -6.712 where: short stacking energy: -6.712 Base-Backbone interact. energy: -0.002 local terms energy: -25.680886 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -4.574 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: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -28.604904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.604904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.604904 (E_RNA) where: Base-Base interactions energy: -3.915 where: short stacking energy: -3.915 Base-Backbone interact. energy: -0.019 local terms energy: -24.671207 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -38.889519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.889519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.889519 (E_RNA) where: Base-Base interactions energy: -10.652 where: short stacking energy: -10.652 Base-Backbone interact. energy: -0.015 local terms energy: -28.221791 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -3.835 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: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -34.465975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.465975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.465975 (E_RNA) where: Base-Base interactions energy: -8.288 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.107 local terms energy: -26.071477 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -35.344154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.344154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.344154 (E_RNA) where: Base-Base interactions energy: -7.590 where: short stacking energy: -7.590 Base-Backbone interact. energy: -0.000 local terms energy: -27.754049 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -5.247 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: 4, replica: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -36.532252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.532252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.532252 (E_RNA) where: Base-Base interactions energy: -9.826 where: short stacking energy: -9.826 Base-Backbone interact. energy: -0.007 local terms energy: -26.699134 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -4.297 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: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -35.855240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.855240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.855240 (E_RNA) where: Base-Base interactions energy: -11.582 where: short stacking energy: -11.582 Base-Backbone interact. energy: -0.001 local terms energy: -24.272771 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -32.325211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.325211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.325211 (E_RNA) where: Base-Base interactions energy: -9.707 where: short stacking energy: -9.306 Base-Backbone interact. energy: 0.218 local terms energy: -22.836718 where: bonds (distance) C4'-P energy: -5.214 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -4.832 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: 7, replica: 9 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -32.331302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.331302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.331302 (E_RNA) where: Base-Base interactions energy: -8.524 where: short stacking energy: -8.524 Base-Backbone interact. energy: -0.007 local terms energy: -23.800771 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -27.191358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.191358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.191358 (E_RNA) where: Base-Base interactions energy: -5.680 where: short stacking energy: -4.431 Base-Backbone interact. energy: -0.953 local terms energy: -20.558299 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: 3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -33.504959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.504959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.504959 (E_RNA) where: Base-Base interactions energy: -6.959 where: short stacking energy: -6.959 Base-Backbone interact. energy: -0.000 local terms energy: -26.545528 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -6.996 flat angles P-C4'-P energy: -2.102 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: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -30.403882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.403882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.403882 (E_RNA) where: Base-Base interactions energy: -4.014 where: short stacking energy: -4.014 Base-Backbone interact. energy: -0.067 local terms energy: -26.322898 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.508 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: 1, replica: 1 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -36.489868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.489868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.489868 (E_RNA) where: Base-Base interactions energy: -12.867 where: short stacking energy: -12.867 Base-Backbone interact. energy: -0.113 local terms energy: -23.509678 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -36.373446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.373446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.373446 (E_RNA) where: Base-Base interactions energy: -14.006 where: short stacking energy: -14.006 Base-Backbone interact. energy: -0.000 local terms energy: -22.367049 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -3.550 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -31.825817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.825817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.825817 (E_RNA) where: Base-Base interactions energy: -6.825 where: short stacking energy: -6.825 Base-Backbone interact. energy: -0.005 local terms energy: -24.996374 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -4.701 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: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -36.077423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.077423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.077423 (E_RNA) where: Base-Base interactions energy: -9.587 where: short stacking energy: -9.587 Base-Backbone interact. energy: -0.002 local terms energy: -26.488357 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -36.183622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.183622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.183622 (E_RNA) where: Base-Base interactions energy: -11.411 where: short stacking energy: -11.411 Base-Backbone interact. energy: -0.007 local terms energy: -24.765478 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -34.578400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.578400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.578400 (E_RNA) where: Base-Base interactions energy: -7.094 where: short stacking energy: -7.094 Base-Backbone interact. energy: -0.078 local terms energy: -27.406444 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -0.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -27.230452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.230452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.230452 (E_RNA) where: Base-Base interactions energy: -5.241 where: short stacking energy: -5.241 Base-Backbone interact. energy: -0.129 local terms energy: -21.860402 where: bonds (distance) C4'-P energy: -3.914 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -3.400 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: 8, replica: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -31.699977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.699977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.699977 (E_RNA) where: Base-Base interactions energy: -9.179 where: short stacking energy: -8.198 Base-Backbone interact. energy: -0.092 local terms energy: -22.428944 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -0.241 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: 9, replica: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -28.512695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.512695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.512695 (E_RNA) where: Base-Base interactions energy: -7.045 where: short stacking energy: -7.045 Base-Backbone interact. energy: -0.074 local terms energy: -21.394088 where: bonds (distance) C4'-P energy: -5.906 bonds (distance) P-C4' energy: -6.454 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -2.600 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -27.310513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.310513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.310513 (E_RNA) where: Base-Base interactions energy: -7.743 where: short stacking energy: -7.743 Base-Backbone interact. energy: 0.469 local terms energy: -20.036810 where: bonds (distance) C4'-P energy: -3.712 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -1.443 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: 1, replica: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -39.317525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.317525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.317525 (E_RNA) where: Base-Base interactions energy: -11.165 where: short stacking energy: -11.165 Base-Backbone interact. energy: -0.038 local terms energy: -28.114938 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.985 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -36.878371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.878371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.878371 (E_RNA) where: Base-Base interactions energy: -10.213 where: short stacking energy: -10.213 Base-Backbone interact. energy: -0.000 local terms energy: -26.664941 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -35.998146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.998146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.998146 (E_RNA) where: Base-Base interactions energy: -10.880 where: short stacking energy: -10.880 Base-Backbone interact. energy: -0.000 local terms energy: -25.118501 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -2.167 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -32.414928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.414928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.414928 (E_RNA) where: Base-Base interactions energy: -9.455 where: short stacking energy: -7.789 Base-Backbone interact. energy: -0.747 local terms energy: -22.212961 where: bonds (distance) C4'-P energy: -3.604 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -4.438 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: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -30.042344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.042344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.042344 (E_RNA) where: Base-Base interactions energy: -11.322 where: short stacking energy: -10.090 Base-Backbone interact. energy: -0.130 local terms energy: -18.590600 where: bonds (distance) C4'-P energy: -4.366 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -33.835572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.835572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.835572 (E_RNA) where: Base-Base interactions energy: -9.328 where: short stacking energy: -9.328 Base-Backbone interact. energy: -0.084 local terms energy: -24.424364 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -3.131 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: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -31.466778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.466778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.466778 (E_RNA) where: Base-Base interactions energy: -6.678 where: short stacking energy: -5.909 Base-Backbone interact. energy: -0.074 local terms energy: -24.714907 where: bonds (distance) C4'-P energy: -4.104 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -4.520 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: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -34.020415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.020415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.020415 (E_RNA) where: Base-Base interactions energy: -7.063 where: short stacking energy: -7.063 Base-Backbone interact. energy: -0.001 local terms energy: -26.956607 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -4.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -30.121694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.121694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.121694 (E_RNA) where: Base-Base interactions energy: -7.030 where: short stacking energy: -7.030 Base-Backbone interact. energy: -0.081 local terms energy: -23.011030 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -4.592 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: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -26.649703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.649703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.649703 (E_RNA) where: Base-Base interactions energy: -3.888 where: short stacking energy: -3.888 Base-Backbone interact. energy: -0.006 local terms energy: -22.754843 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -3.857 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: 1, replica: 1 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -33.775031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.775031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.775031 (E_RNA) where: Base-Base interactions energy: -7.111 where: short stacking energy: -7.111 Base-Backbone interact. energy: -0.083 local terms energy: -26.581274 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -4.760 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: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -40.879555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.879555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.879555 (E_RNA) where: Base-Base interactions energy: -15.773 where: short stacking energy: -15.773 Base-Backbone interact. energy: -0.000 local terms energy: -25.105863 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -4.399 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: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -34.068363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.068363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.068363 (E_RNA) where: Base-Base interactions energy: -10.457 where: short stacking energy: -10.457 Base-Backbone interact. energy: -0.016 local terms energy: -23.594566 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -4.090 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -5.166 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: 4, replica: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -38.151436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.151436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.151436 (E_RNA) where: Base-Base interactions energy: -11.892 where: short stacking energy: -11.892 Base-Backbone interact. energy: -0.001 local terms energy: -26.258151 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -3.426 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: 5, replica: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -27.526271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.526271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.526271 (E_RNA) where: Base-Base interactions energy: -4.894 where: short stacking energy: -4.894 Base-Backbone interact. energy: -0.053 local terms energy: -22.579468 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -5.358 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: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -29.254044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.254044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.254044 (E_RNA) where: Base-Base interactions energy: -8.178 where: short stacking energy: -8.178 Base-Backbone interact. energy: -0.072 local terms energy: -21.003764 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -2.962 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: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -31.138629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.138629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.138629 (E_RNA) where: Base-Base interactions energy: -7.372 where: short stacking energy: -7.372 Base-Backbone interact. energy: -0.005 local terms energy: -23.761781 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -29.896208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.896208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.896208 (E_RNA) where: Base-Base interactions energy: -7.834 where: short stacking energy: -7.834 Base-Backbone interact. energy: -0.002 local terms energy: -22.059406 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -4.037 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: 9, replica: 4 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -26.424637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.424637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.424637 (E_RNA) where: Base-Base interactions energy: -5.483 where: short stacking energy: -5.483 Base-Backbone interact. energy: -0.101 local terms energy: -20.840416 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: 0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -25.170212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.170212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.170212 (E_RNA) where: Base-Base interactions energy: -5.586 where: short stacking energy: -5.586 Base-Backbone interact. energy: -0.095 local terms energy: -19.489036 where: bonds (distance) C4'-P energy: -3.365 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -2.524 flat angles P-C4'-P energy: -4.916 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: 1, replica: 1 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -34.090833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.090833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.090833 (E_RNA) where: Base-Base interactions energy: -9.501 where: short stacking energy: -8.155 Base-Backbone interact. energy: -0.031 local terms energy: -24.559208 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: 0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -39.385234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.385234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.385234 (E_RNA) where: Base-Base interactions energy: -11.675 where: short stacking energy: -11.675 Base-Backbone interact. energy: -0.044 local terms energy: -27.665815 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -37.187720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.187720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.187720 (E_RNA) where: Base-Base interactions energy: -12.915 where: short stacking energy: -12.915 Base-Backbone interact. energy: -0.001 local terms energy: -24.270981 where: bonds (distance) C4'-P energy: -5.657 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -35.173089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.173089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.173089 (E_RNA) where: Base-Base interactions energy: -11.305 where: short stacking energy: -11.305 Base-Backbone interact. energy: -0.093 local terms energy: -23.774798 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -5.132 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: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -37.789957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.789957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.789957 (E_RNA) where: Base-Base interactions energy: -9.257 where: short stacking energy: -9.257 Base-Backbone interact. energy: -0.082 local terms energy: -28.450291 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -4.581 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: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -30.787096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.787096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.787096 (E_RNA) where: Base-Base interactions energy: -4.543 where: short stacking energy: -4.543 Base-Backbone interact. energy: -0.019 local terms energy: -26.225489 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -35.448765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.448765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.448765 (E_RNA) where: Base-Base interactions energy: -10.737 where: short stacking energy: -10.737 Base-Backbone interact. energy: -0.001 local terms energy: -24.711410 where: bonds (distance) C4'-P energy: -4.933 bonds (distance) P-C4' energy: -5.171 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -3.163 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: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -29.995009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.995009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.995009 (E_RNA) where: Base-Base interactions energy: -7.566 where: short stacking energy: -7.566 Base-Backbone interact. energy: -0.003 local terms energy: -22.426648 where: bonds (distance) C4'-P energy: -3.844 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -3.783 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: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -28.275176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.275176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.275176 (E_RNA) where: Base-Base interactions energy: -5.282 where: short stacking energy: -5.282 Base-Backbone interact. energy: -0.018 local terms energy: -22.975566 where: bonds (distance) C4'-P energy: -4.970 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -29.205623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.205623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.205623 (E_RNA) where: Base-Base interactions energy: -3.962 where: short stacking energy: -3.962 Base-Backbone interact. energy: -0.046 local terms energy: -25.197498 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -4.840 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: 1, replica: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -39.784374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.784374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.784374 (E_RNA) where: Base-Base interactions energy: -14.325 where: short stacking energy: -14.325 Base-Backbone interact. energy: -0.000 local terms energy: -25.459106 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -1.265 tors. eta vs tors. theta energy: -4.863 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: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -39.810596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.810596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.810596 (E_RNA) where: Base-Base interactions energy: -12.057 where: short stacking energy: -12.057 Base-Backbone interact. energy: -0.001 local terms energy: -27.752592 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -38.265010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.265010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.265010 (E_RNA) where: Base-Base interactions energy: -12.870 where: short stacking energy: -12.870 Base-Backbone interact. energy: -0.059 local terms energy: -25.336254 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -39.676662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.676662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.676662 (E_RNA) where: Base-Base interactions energy: -12.179 where: short stacking energy: -12.179 Base-Backbone interact. energy: -0.022 local terms energy: -27.475791 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -3.545 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: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -33.400913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.400913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.400913 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -11.538 Base-Backbone interact. energy: -0.053 local terms energy: -19.110098 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -3.374 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -1.057 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: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -30.639534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.639534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.639534 (E_RNA) where: Base-Base interactions energy: -7.319 where: short stacking energy: -7.319 Base-Backbone interact. energy: -0.153 local terms energy: -23.168487 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -5.408 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: 7, replica: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -31.979274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.979274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.979274 (E_RNA) where: Base-Base interactions energy: -6.406 where: short stacking energy: -4.280 Base-Backbone interact. energy: -0.170 local terms energy: -25.402725 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -4.925 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: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -30.302069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.302069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.302069 (E_RNA) where: Base-Base interactions energy: -5.118 where: short stacking energy: -5.118 Base-Backbone interact. energy: -0.012 local terms energy: -25.172348 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.642 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: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -28.772222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.772222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.772222 (E_RNA) where: Base-Base interactions energy: -7.453 where: short stacking energy: -7.453 Base-Backbone interact. energy: -0.007 local terms energy: -21.311560 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -4.627 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: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -30.568303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.568303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.568303 (E_RNA) where: Base-Base interactions energy: -5.546 where: short stacking energy: -5.546 Base-Backbone interact. energy: -0.072 local terms energy: -24.949815 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -43.894692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.894692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.894692 (E_RNA) where: Base-Base interactions energy: -12.734 where: short stacking energy: -12.734 Base-Backbone interact. energy: -0.000 local terms energy: -31.160267 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -5.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -34.321352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.321352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.321352 (E_RNA) where: Base-Base interactions energy: -5.917 where: short stacking energy: -5.917 Base-Backbone interact. energy: -0.080 local terms energy: -28.324398 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -4.924 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: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -37.035409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.035409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.035409 (E_RNA) where: Base-Base interactions energy: -10.601 where: short stacking energy: -10.601 Base-Backbone interact. energy: -0.001 local terms energy: -26.433617 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -4.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -36.946159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.946159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.946159 (E_RNA) where: Base-Base interactions energy: -13.810 where: short stacking energy: -13.810 Base-Backbone interact. energy: -0.000 local terms energy: -23.136300 where: bonds (distance) C4'-P energy: -5.255 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -32.742817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.742817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.742817 (E_RNA) where: Base-Base interactions energy: -6.367 where: short stacking energy: -7.190 Base-Backbone interact. energy: -0.000 local terms energy: -26.375369 where: bonds (distance) C4'-P energy: -5.210 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -4.897 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: 6, replica: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -33.833307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.833307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.833307 (E_RNA) where: Base-Base interactions energy: -10.479 where: short stacking energy: -10.479 Base-Backbone interact. energy: -0.003 local terms energy: -23.351107 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -2.324 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: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -32.229783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.229783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.229783 (E_RNA) where: Base-Base interactions energy: -5.367 where: short stacking energy: -5.367 Base-Backbone interact. energy: -0.011 local terms energy: -26.850972 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -2.791 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: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -27.706810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.706810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.706810 (E_RNA) where: Base-Base interactions energy: -7.490 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.001 local terms energy: -20.215493 where: bonds (distance) C4'-P energy: -3.434 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -4.508 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: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -26.060995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.060995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.060995 (E_RNA) where: Base-Base interactions energy: -2.104 where: short stacking energy: -1.531 Base-Backbone interact. energy: -0.005 local terms energy: -23.951790 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -29.712364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.712364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.712364 (E_RNA) where: Base-Base interactions energy: -7.469 where: short stacking energy: -7.469 Base-Backbone interact. energy: 0.411 local terms energy: -22.653774 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -2.946 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -37.969879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.969879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.969879 (E_RNA) where: Base-Base interactions energy: -11.446 where: short stacking energy: -11.446 Base-Backbone interact. energy: -0.080 local terms energy: -26.444259 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -5.406 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: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -41.987701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.987701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.987701 (E_RNA) where: Base-Base interactions energy: -13.667 where: short stacking energy: -14.345 Base-Backbone interact. energy: -0.016 local terms energy: -28.304837 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -3.601 flat angles P-C4'-P energy: -6.302 tors. eta vs tors. theta energy: -3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -35.165393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.165393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.165393 (E_RNA) where: Base-Base interactions energy: -8.918 where: short stacking energy: -8.918 Base-Backbone interact. energy: -0.003 local terms energy: -26.244405 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -2.766 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: 348 Temperature: 1.050000 Total energy: -37.024127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.024127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.024127 (E_RNA) where: Base-Base interactions energy: -8.779 where: short stacking energy: -8.779 Base-Backbone interact. energy: -0.000 local terms energy: -28.245498 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -5.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -31.892993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.892993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.892993 (E_RNA) where: Base-Base interactions energy: -7.256 where: short stacking energy: -7.256 Base-Backbone interact. energy: -0.001 local terms energy: -24.635908 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -5.077 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: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -36.282168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.282168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.282168 (E_RNA) where: Base-Base interactions energy: -12.369 where: short stacking energy: -12.369 Base-Backbone interact. energy: -0.000 local terms energy: -23.912754 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -31.201118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.201118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.201118 (E_RNA) where: Base-Base interactions energy: -10.153 where: short stacking energy: -10.153 Base-Backbone interact. energy: -0.000 local terms energy: -21.048189 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -1.650 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: 8, replica: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -38.002394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.002394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.002394 (E_RNA) where: Base-Base interactions energy: -12.008 where: short stacking energy: -12.008 Base-Backbone interact. energy: -0.049 local terms energy: -25.946087 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -3.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -30.892015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.892015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.892015 (E_RNA) where: Base-Base interactions energy: -6.372 where: short stacking energy: -6.372 Base-Backbone interact. energy: -0.423 local terms energy: -24.096662 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.197 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -4.824 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: 10, replica: 2 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -34.422915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.422915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.422915 (E_RNA) where: Base-Base interactions energy: -7.169 where: short stacking energy: -7.169 Base-Backbone interact. energy: -0.097 local terms energy: -27.157477 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -36.610313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.610313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.610313 (E_RNA) where: Base-Base interactions energy: -10.658 where: short stacking energy: -10.658 Base-Backbone interact. energy: -0.136 local terms energy: -25.815483 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -5.201 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: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -40.892645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.892645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.892645 (E_RNA) where: Base-Base interactions energy: -11.823 where: short stacking energy: -11.823 Base-Backbone interact. energy: -0.010 local terms energy: -29.059853 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -4.869 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: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -39.845744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.845744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.845744 (E_RNA) where: Base-Base interactions energy: -11.418 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.290 local terms energy: -28.138004 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: -8.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -32.069316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.069316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.069316 (E_RNA) where: Base-Base interactions energy: -8.218 where: short stacking energy: -8.028 Base-Backbone interact. energy: -0.318 local terms energy: -23.533947 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -30.825240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.825240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.825240 (E_RNA) where: Base-Base interactions energy: -8.419 where: short stacking energy: -7.061 Base-Backbone interact. energy: -0.001 local terms energy: -22.405604 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -1.692 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -31.821193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.821193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.821193 (E_RNA) where: Base-Base interactions energy: -6.693 where: short stacking energy: -6.693 Base-Backbone interact. energy: -0.053 local terms energy: -25.075217 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -4.724 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: 7, replica: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -30.006123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.006123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.006123 (E_RNA) where: Base-Base interactions energy: -3.128 where: short stacking energy: -3.128 Base-Backbone interact. energy: -0.006 local terms energy: -26.871657 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -5.291 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: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -33.890038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.890038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.890038 (E_RNA) where: Base-Base interactions energy: -13.003 where: short stacking energy: -13.003 Base-Backbone interact. energy: -0.164 local terms energy: -20.723387 where: bonds (distance) C4'-P energy: -4.779 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -5.625 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: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -32.097278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.097278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.097278 (E_RNA) where: Base-Base interactions energy: -9.443 where: short stacking energy: -9.443 Base-Backbone interact. energy: -0.002 local terms energy: -22.651955 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.226 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -2.103 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: 10, replica: 2 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -29.918981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.918981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.918981 (E_RNA) where: Base-Base interactions energy: -8.488 where: short stacking energy: -8.488 Base-Backbone interact. energy: -0.024 local terms energy: -21.407169 where: bonds (distance) C4'-P energy: -4.283 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -3.227 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: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -42.734803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.734803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.734803 (E_RNA) where: Base-Base interactions energy: -14.991 where: short stacking energy: -14.991 Base-Backbone interact. energy: -0.000 local terms energy: -27.743983 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -33.051518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.051518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.051518 (E_RNA) where: Base-Base interactions energy: -5.984 where: short stacking energy: -5.984 Base-Backbone interact. energy: 0.137 local terms energy: -27.203655 where: bonds (distance) C4'-P energy: -4.738 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -5.342 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: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -32.198744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.198744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.198744 (E_RNA) where: Base-Base interactions energy: -11.419 where: short stacking energy: -11.419 Base-Backbone interact. energy: -0.081 local terms energy: -20.698350 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -4.250 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: 1 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -37.140669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.140669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.140669 (E_RNA) where: Base-Base interactions energy: -9.940 where: short stacking energy: -8.023 Base-Backbone interact. energy: -0.001 local terms energy: -27.199394 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -33.341923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.341923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.341923 (E_RNA) where: Base-Base interactions energy: -7.875 where: short stacking energy: -7.875 Base-Backbone interact. energy: -0.091 local terms energy: -25.376318 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -33.333783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.333783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.333783 (E_RNA) where: Base-Base interactions energy: -7.345 where: short stacking energy: -7.345 Base-Backbone interact. energy: -0.046 local terms energy: -25.942047 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -6.234 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: 7, replica: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -27.512472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.512472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.512472 (E_RNA) where: Base-Base interactions energy: -5.728 where: short stacking energy: -5.728 Base-Backbone interact. energy: -0.079 local terms energy: -21.705335 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.842 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -1.831 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: 8, replica: 6 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -32.586953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.586953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.586953 (E_RNA) where: Base-Base interactions energy: -6.542 where: short stacking energy: -6.542 Base-Backbone interact. energy: -0.014 local terms energy: -26.030816 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -31.577568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.577568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.577568 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.000 local terms energy: -20.943419 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -5.192 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -1.014 tors. eta vs tors. theta energy: -3.493 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: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -27.599954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.599954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.599954 (E_RNA) where: Base-Base interactions energy: -3.706 where: short stacking energy: -3.257 Base-Backbone interact. energy: -0.109 local terms energy: -23.785802 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: 0.930 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: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -39.062399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.062399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.062399 (E_RNA) where: Base-Base interactions energy: -12.685 where: short stacking energy: -12.685 Base-Backbone interact. energy: -0.008 local terms energy: -26.369665 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -39.815787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.815787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.815787 (E_RNA) where: Base-Base interactions energy: -13.969 where: short stacking energy: -13.969 Base-Backbone interact. energy: -0.000 local terms energy: -25.846734 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -3.081 flat angles P-C4'-P energy: -5.303 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -37.063973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.063973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.063973 (E_RNA) where: Base-Base interactions energy: -10.876 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.006 local terms energy: -26.182434 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.195 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: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -32.763446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.763446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.763446 (E_RNA) where: Base-Base interactions energy: -10.250 where: short stacking energy: -10.250 Base-Backbone interact. energy: -0.549 local terms energy: -21.964925 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -5.484 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -4.953 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: 5, replica: 1 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -30.975243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.975243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.975243 (E_RNA) where: Base-Base interactions energy: -7.294 where: short stacking energy: -7.294 Base-Backbone interact. energy: -0.168 local terms energy: -23.512929 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -5.141 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: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -33.728851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.728851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.728851 (E_RNA) where: Base-Base interactions energy: -5.038 where: short stacking energy: -5.038 Base-Backbone interact. energy: -0.003 local terms energy: -28.688312 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -5.489 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: 7, replica: 9 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -31.039645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.039645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.039645 (E_RNA) where: Base-Base interactions energy: -7.701 where: short stacking energy: -7.701 Base-Backbone interact. energy: -0.004 local terms energy: -23.335118 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: 0.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -28.337078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.337078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.337078 (E_RNA) where: Base-Base interactions energy: -8.588 where: short stacking energy: -8.588 Base-Backbone interact. energy: -0.162 local terms energy: -19.587160 where: bonds (distance) C4'-P energy: -2.378 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.149 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: 9, replica: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -36.554723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.554723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.554723 (E_RNA) where: Base-Base interactions energy: -9.813 where: short stacking energy: -9.813 Base-Backbone interact. energy: -0.004 local terms energy: -26.737597 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.314 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: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -32.854875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.854875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.854875 (E_RNA) where: Base-Base interactions energy: -9.988 where: short stacking energy: -9.988 Base-Backbone interact. energy: -0.000 local terms energy: -22.867208 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -2.108 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: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -39.185776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.185776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.185776 (E_RNA) where: Base-Base interactions energy: -11.036 where: short stacking energy: -11.036 Base-Backbone interact. energy: -0.000 local terms energy: -28.149382 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -5.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -35.894654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.894654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.894654 (E_RNA) where: Base-Base interactions energy: -10.936 where: short stacking energy: -10.936 Base-Backbone interact. energy: -0.195 local terms energy: -24.762974 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.818 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: 3, replica: 5 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -40.046872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.046872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.046872 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.070 local terms energy: -28.620652 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -4.936 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: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -32.139459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.139459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.139459 (E_RNA) where: Base-Base interactions energy: -7.413 where: short stacking energy: -7.413 Base-Backbone interact. energy: -0.103 local terms energy: -24.624132 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -5.630 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: 5, replica: 7 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -33.003268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.003268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.003268 (E_RNA) where: Base-Base interactions energy: -9.828 where: short stacking energy: -9.828 Base-Backbone interact. energy: -0.000 local terms energy: -23.174712 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -31.937657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.937657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.937657 (E_RNA) where: Base-Base interactions energy: -6.953 where: short stacking energy: -6.953 Base-Backbone interact. energy: -0.040 local terms energy: -24.945088 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -29.678913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.678913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.678913 (E_RNA) where: Base-Base interactions energy: -3.740 where: short stacking energy: -3.740 Base-Backbone interact. energy: -0.079 local terms energy: -25.859860 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -4.350 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: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -33.407166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.407166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.407166 (E_RNA) where: Base-Base interactions energy: -8.790 where: short stacking energy: -8.790 Base-Backbone interact. energy: -0.009 local terms energy: -24.608237 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -27.845245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.845245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.845245 (E_RNA) where: Base-Base interactions energy: -3.810 where: short stacking energy: -3.810 Base-Backbone interact. energy: -0.009 local terms energy: -24.026780 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -24.601505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.601505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.601505 (E_RNA) where: Base-Base interactions energy: -6.935 where: short stacking energy: -6.935 Base-Backbone interact. energy: -0.190 local terms energy: -17.476804 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -3.681 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: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -39.093740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.093740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.093740 (E_RNA) where: Base-Base interactions energy: -11.121 where: short stacking energy: -11.121 Base-Backbone interact. energy: -0.100 local terms energy: -27.873570 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -2.744 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: 2, replica: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -33.576065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.576065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.576065 (E_RNA) where: Base-Base interactions energy: -10.696 where: short stacking energy: -10.696 Base-Backbone interact. energy: -0.000 local terms energy: -22.880117 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -37.702105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.702105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.702105 (E_RNA) where: Base-Base interactions energy: -12.965 where: short stacking energy: -12.965 Base-Backbone interact. energy: -0.000 local terms energy: -24.736899 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -4.503 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: 4, replica: 7 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -34.005046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.005046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.005046 (E_RNA) where: Base-Base interactions energy: -8.518 where: short stacking energy: -8.518 Base-Backbone interact. energy: -0.214 local terms energy: -25.272798 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -5.844 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: 5, replica: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -32.510208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.510208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.510208 (E_RNA) where: Base-Base interactions energy: -8.838 where: short stacking energy: -8.838 Base-Backbone interact. energy: -0.220 local terms energy: -23.452181 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -2.515 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: 353 Temperature: 1.150000 Total energy: -31.236972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.236972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.236972 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -8.095 Base-Backbone interact. energy: -0.068 local terms energy: -20.152450 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -1.816 tors. eta vs tors. theta energy: 1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -30.330641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.330641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.330641 (E_RNA) where: Base-Base interactions energy: -8.227 where: short stacking energy: -8.227 Base-Backbone interact. energy: -0.046 local terms energy: -22.057681 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -27.318028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.318028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.318028 (E_RNA) where: Base-Base interactions energy: -4.123 where: short stacking energy: -4.123 Base-Backbone interact. energy: -0.100 local terms energy: -23.094369 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: 0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -28.401321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.401321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.401321 (E_RNA) where: Base-Base interactions energy: -5.152 where: short stacking energy: -5.152 Base-Backbone interact. energy: -0.006 local terms energy: -23.243699 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -3.994 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: 10, replica: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -30.239656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.239656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.239656 (E_RNA) where: Base-Base interactions energy: -1.898 where: short stacking energy: -1.898 Base-Backbone interact. energy: -0.001 local terms energy: -28.340692 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -4.493 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: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -39.626132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.626132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.626132 (E_RNA) where: Base-Base interactions energy: -14.803 where: short stacking energy: -14.803 Base-Backbone interact. energy: -0.006 local terms energy: -24.817023 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -2.899 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: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -38.832966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.832966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.832966 (E_RNA) where: Base-Base interactions energy: -14.091 where: short stacking energy: -14.091 Base-Backbone interact. energy: -0.000 local terms energy: -24.741601 where: bonds (distance) C4'-P energy: -3.989 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -40.148980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.148980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.148980 (E_RNA) where: Base-Base interactions energy: -14.385 where: short stacking energy: -14.385 Base-Backbone interact. energy: -0.000 local terms energy: -25.764087 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -40.276508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.276508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.276508 (E_RNA) where: Base-Base interactions energy: -11.892 where: short stacking energy: -11.892 Base-Backbone interact. energy: -0.000 local terms energy: -28.384580 where: bonds (distance) C4'-P energy: -5.911 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -4.771 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: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -32.344698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.344698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.344698 (E_RNA) where: Base-Base interactions energy: -10.045 where: short stacking energy: -10.045 Base-Backbone interact. energy: -0.013 local terms energy: -22.286121 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -3.651 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: 6, replica: 10 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -31.364713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364713 (E_RNA) where: Base-Base interactions energy: -8.824 where: short stacking energy: -8.824 Base-Backbone interact. energy: -0.088 local terms energy: -22.452630 where: bonds (distance) C4'-P energy: -4.440 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -2.461 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: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -30.550302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.550302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.550302 (E_RNA) where: Base-Base interactions energy: -8.346 where: short stacking energy: -8.346 Base-Backbone interact. energy: -0.002 local terms energy: -22.202525 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -3.123 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: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -33.667511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.667511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.667511 (E_RNA) where: Base-Base interactions energy: -11.084 where: short stacking energy: -11.084 Base-Backbone interact. energy: -0.009 local terms energy: -22.573877 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: 0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -33.667850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.667850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.667850 (E_RNA) where: Base-Base interactions energy: -8.632 where: short stacking energy: -8.632 Base-Backbone interact. energy: -0.007 local terms energy: -25.029048 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -28.508568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.508568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.508568 (E_RNA) where: Base-Base interactions energy: -5.037 where: short stacking energy: -5.037 Base-Backbone interact. energy: -0.028 local terms energy: -23.443620 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -36.037880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.037880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.037880 (E_RNA) where: Base-Base interactions energy: -10.804 where: short stacking energy: -10.804 Base-Backbone interact. energy: -0.002 local terms energy: -25.231778 where: bonds (distance) C4'-P energy: -4.606 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -38.090122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.090122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.090122 (E_RNA) where: Base-Base interactions energy: -11.887 where: short stacking energy: -11.887 Base-Backbone interact. energy: -0.031 local terms energy: -26.173084 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -40.413001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.413001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.413001 (E_RNA) where: Base-Base interactions energy: -11.873 where: short stacking energy: -11.873 Base-Backbone interact. energy: -0.000 local terms energy: -28.539928 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -35.423569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.423569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.423569 (E_RNA) where: Base-Base interactions energy: -12.167 where: short stacking energy: -12.167 Base-Backbone interact. energy: -0.020 local terms energy: -23.236667 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -4.170 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: 7 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -35.648487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.648487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.648487 (E_RNA) where: Base-Base interactions energy: -12.348 where: short stacking energy: -12.348 Base-Backbone interact. energy: -0.023 local terms energy: -23.276548 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -2.351 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -34.103853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.103853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.103853 (E_RNA) where: Base-Base interactions energy: -8.040 where: short stacking energy: -8.040 Base-Backbone interact. energy: -0.000 local terms energy: -26.063711 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -3.522 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: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -35.552360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.552360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.552360 (E_RNA) where: Base-Base interactions energy: -11.756 where: short stacking energy: -11.756 Base-Backbone interact. energy: -0.000 local terms energy: -23.796556 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -5.748 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: 8, replica: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -32.623954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.623954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.623954 (E_RNA) where: Base-Base interactions energy: -9.949 where: short stacking energy: -9.949 Base-Backbone interact. energy: -0.000 local terms energy: -22.674370 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -2.519 flat angles P-C4'-P energy: -1.926 tors. eta vs tors. theta energy: -3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -31.567279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.567279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.567279 (E_RNA) where: Base-Base interactions energy: -9.872 where: short stacking energy: -9.872 Base-Backbone interact. energy: -0.001 local terms energy: -21.694630 where: bonds (distance) C4'-P energy: -5.239 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.520 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -0.831 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: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -28.384813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.384813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.384813 (E_RNA) where: Base-Base interactions energy: -8.096 where: short stacking energy: -8.096 Base-Backbone interact. energy: -0.001 local terms energy: -20.287147 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -1.401 flat angles P-C4'-P energy: -5.244 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: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -43.367155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.367155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.367155 (E_RNA) where: Base-Base interactions energy: -16.050 where: short stacking energy: -16.050 Base-Backbone interact. energy: -0.001 local terms energy: -27.316197 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -6.030 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: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -37.300387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.300387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.300387 (E_RNA) where: Base-Base interactions energy: -6.998 where: short stacking energy: -6.998 Base-Backbone interact. energy: -0.956 local terms energy: -29.346034 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -5.495 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: 3, replica: 2 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -30.270822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.270822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.270822 (E_RNA) where: Base-Base interactions energy: -9.716 where: short stacking energy: -9.716 Base-Backbone interact. energy: -0.023 local terms energy: -20.532177 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: 1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -38.600146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.600146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.600146 (E_RNA) where: Base-Base interactions energy: -9.936 where: short stacking energy: -9.936 Base-Backbone interact. energy: -0.003 local terms energy: -28.661773 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -4.264 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: 5, replica: 10 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -31.847595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.847595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.847595 (E_RNA) where: Base-Base interactions energy: -6.419 where: short stacking energy: -6.419 Base-Backbone interact. energy: -0.000 local terms energy: -25.428458 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -1.617 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -32.579710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.579710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.579710 (E_RNA) where: Base-Base interactions energy: -8.283 where: short stacking energy: -8.283 Base-Backbone interact. energy: -0.086 local terms energy: -24.210233 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -4.733 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: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -33.270331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.270331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.270331 (E_RNA) where: Base-Base interactions energy: -7.020 where: short stacking energy: -7.020 Base-Backbone interact. energy: -0.001 local terms energy: -26.248736 where: bonds (distance) C4'-P energy: -4.349 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -32.170645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.170645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.170645 (E_RNA) where: Base-Base interactions energy: -6.181 where: short stacking energy: -6.181 Base-Backbone interact. energy: -0.000 local terms energy: -25.989709 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -30.382731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.382731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.382731 (E_RNA) where: Base-Base interactions energy: -3.944 where: short stacking energy: -3.944 Base-Backbone interact. energy: -0.001 local terms energy: -26.437961 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -5.434 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: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -29.367527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.367527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.367527 (E_RNA) where: Base-Base interactions energy: -7.985 where: short stacking energy: -7.985 Base-Backbone interact. energy: -0.017 local terms energy: -21.365448 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -3.971 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: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -37.570345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.570345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.570345 (E_RNA) where: Base-Base interactions energy: -10.734 where: short stacking energy: -10.734 Base-Backbone interact. energy: -0.004 local terms energy: -26.832350 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -0.772 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: 2, replica: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -40.227956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.227956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.227956 (E_RNA) where: Base-Base interactions energy: -10.153 where: short stacking energy: -10.153 Base-Backbone interact. energy: -0.000 local terms energy: -30.074519 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -33.828595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.828595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.828595 (E_RNA) where: Base-Base interactions energy: -8.084 where: short stacking energy: -8.084 Base-Backbone interact. energy: -0.096 local terms energy: -25.647856 where: bonds (distance) C4'-P energy: -4.200 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -5.019 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: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -33.178791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.178791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.178791 (E_RNA) where: Base-Base interactions energy: -8.204 where: short stacking energy: -8.204 Base-Backbone interact. energy: -0.032 local terms energy: -24.942702 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -31.347921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.347921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.347921 (E_RNA) where: Base-Base interactions energy: -7.555 where: short stacking energy: -7.555 Base-Backbone interact. energy: -0.014 local terms energy: -23.778826 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.665 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -2.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -32.482458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.482458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.482458 (E_RNA) where: Base-Base interactions energy: -8.324 where: short stacking energy: -8.324 Base-Backbone interact. energy: -0.007 local terms energy: -24.151987 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -2.887 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: 7 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -36.506194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.506194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.506194 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -10.622 Base-Backbone interact. energy: -0.184 local terms energy: -24.299249 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -2.574 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -30.567139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.567139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.567139 (E_RNA) where: Base-Base interactions energy: -5.890 where: short stacking energy: -5.890 Base-Backbone interact. energy: -0.000 local terms energy: -24.677484 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -29.776156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.776156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.776156 (E_RNA) where: Base-Base interactions energy: -6.280 where: short stacking energy: -6.280 Base-Backbone interact. energy: -0.003 local terms energy: -23.493860 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -4.487 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: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -29.934662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.934662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.934662 (E_RNA) where: Base-Base interactions energy: -9.395 where: short stacking energy: -9.511 Base-Backbone interact. energy: -0.001 local terms energy: -20.538736 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -43.006237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.006237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.006237 (E_RNA) where: Base-Base interactions energy: -13.160 where: short stacking energy: -13.160 Base-Backbone interact. energy: -0.000 local terms energy: -29.846176 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -5.069 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: 358 Temperature: 0.950000 Total energy: -37.613287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.613287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.613287 (E_RNA) where: Base-Base interactions energy: -10.139 where: short stacking energy: -10.139 Base-Backbone interact. energy: -0.000 local terms energy: -27.474205 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -4.274 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: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -33.457213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.457213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.457213 (E_RNA) where: Base-Base interactions energy: -7.999 where: short stacking energy: -5.221 Base-Backbone interact. energy: -0.015 local terms energy: -25.443671 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -4.346 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: 358 Temperature: 1.050000 Total energy: -35.243469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.243469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.243469 (E_RNA) where: Base-Base interactions energy: -10.738 where: short stacking energy: -10.738 Base-Backbone interact. energy: -0.000 local terms energy: -24.505309 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -3.980 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: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -35.049467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.049467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.049467 (E_RNA) where: Base-Base interactions energy: -8.198 where: short stacking energy: -8.198 Base-Backbone interact. energy: -1.892 local terms energy: -24.959229 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -5.469 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: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -28.919199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.919199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.919199 (E_RNA) where: Base-Base interactions energy: -8.789 where: short stacking energy: -7.314 Base-Backbone interact. energy: -0.290 local terms energy: -19.840366 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: 0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -30.079404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.079404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.079404 (E_RNA) where: Base-Base interactions energy: -7.518 where: short stacking energy: -7.518 Base-Backbone interact. energy: -0.001 local terms energy: -22.560224 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -2.682 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -27.463410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.463410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.463410 (E_RNA) where: Base-Base interactions energy: -6.008 where: short stacking energy: -6.008 Base-Backbone interact. energy: -0.004 local terms energy: -21.450867 where: bonds (distance) C4'-P energy: -6.381 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: 0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -27.295573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.295573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.295573 (E_RNA) where: Base-Base interactions energy: -5.374 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.103 local terms energy: -21.818348 where: bonds (distance) C4'-P energy: -4.093 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -4.350 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: 10, replica: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -29.589092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.589092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.589092 (E_RNA) where: Base-Base interactions energy: -6.143 where: short stacking energy: -6.143 Base-Backbone interact. energy: -0.000 local terms energy: -23.445772 where: bonds (distance) C4'-P energy: -4.614 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -4.944 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: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -36.692349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.692349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.692349 (E_RNA) where: Base-Base interactions energy: -11.273 where: short stacking energy: -11.273 Base-Backbone interact. energy: -0.038 local terms energy: -25.381163 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.837 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: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -42.741855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.741855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.741855 (E_RNA) where: Base-Base interactions energy: -13.887 where: short stacking energy: -13.887 Base-Backbone interact. energy: -0.000 local terms energy: -28.854816 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -39.206189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.206189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.206189 (E_RNA) where: Base-Base interactions energy: -13.254 where: short stacking energy: -11.138 Base-Backbone interact. energy: -0.001 local terms energy: -25.951155 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -2.011 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: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -36.522514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.522514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.522514 (E_RNA) where: Base-Base interactions energy: -8.954 where: short stacking energy: -8.954 Base-Backbone interact. energy: -0.000 local terms energy: -27.568080 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -5.853 tors. eta vs tors. theta energy: -2.046 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: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -31.860653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.860653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.860653 (E_RNA) where: Base-Base interactions energy: -9.560 where: short stacking energy: -9.560 Base-Backbone interact. energy: -0.129 local terms energy: -22.172066 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -2.996 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: 6, replica: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -31.976635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.976635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.976635 (E_RNA) where: Base-Base interactions energy: -8.194 where: short stacking energy: -8.194 Base-Backbone interact. energy: -0.149 local terms energy: -23.634108 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -5.221 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: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -31.409100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.409100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.409100 (E_RNA) where: Base-Base interactions energy: -8.610 where: short stacking energy: -9.079 Base-Backbone interact. energy: -0.134 local terms energy: -22.664985 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.487 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -27.649357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.649357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.649357 (E_RNA) where: Base-Base interactions energy: -6.898 where: short stacking energy: -6.898 Base-Backbone interact. energy: 1.368 local terms energy: -22.119800 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: 0.378 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: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -32.097762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.097762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.097762 (E_RNA) where: Base-Base interactions energy: -6.921 where: short stacking energy: -6.921 Base-Backbone interact. energy: 0.182 local terms energy: -25.359005 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -30.040202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.040202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.040202 (E_RNA) where: Base-Base interactions energy: -4.836 where: short stacking energy: -4.836 Base-Backbone interact. energy: -0.019 local terms energy: -25.185240 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: -1.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -41.215769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.215769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.215769 (E_RNA) where: Base-Base interactions energy: -12.975 where: short stacking energy: -12.975 Base-Backbone interact. energy: -0.000 local terms energy: -28.241053 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -4.949 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: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -36.736791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.736791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.736791 (E_RNA) where: Base-Base interactions energy: -12.888 where: short stacking energy: -12.888 Base-Backbone interact. energy: -0.013 local terms energy: -23.836362 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.278 flat angles P-C4'-P energy: -4.496 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: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -32.639038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.639038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.639038 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.323 local terms energy: -23.776521 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -36.761270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.761270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.761270 (E_RNA) where: Base-Base interactions energy: -11.141 where: short stacking energy: -10.699 Base-Backbone interact. energy: -0.087 local terms energy: -25.533361 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -3.511 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: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -37.019721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.019721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.019721 (E_RNA) where: Base-Base interactions energy: -8.403 where: short stacking energy: -8.403 Base-Backbone interact. energy: -0.022 local terms energy: -28.595349 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -3.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -31.730263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.730263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.730263 (E_RNA) where: Base-Base interactions energy: -10.526 where: short stacking energy: -10.526 Base-Backbone interact. energy: -0.077 local terms energy: -21.126929 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -0.593 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -34.312012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.312012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.312012 (E_RNA) where: Base-Base interactions energy: -11.705 where: short stacking energy: -11.705 Base-Backbone interact. energy: -0.013 local terms energy: -22.594257 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -4.554 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: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -32.608818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.608818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.608818 (E_RNA) where: Base-Base interactions energy: -7.700 where: short stacking energy: -7.700 Base-Backbone interact. energy: 0.853 local terms energy: -25.761417 where: bonds (distance) C4'-P energy: -4.650 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -5.561 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: 9, replica: 9 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -31.222591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.222591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.222591 (E_RNA) where: Base-Base interactions energy: -9.640 where: short stacking energy: -9.640 Base-Backbone interact. energy: -0.000 local terms energy: -21.582894 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -2.096 flat angles P-C4'-P energy: -5.156 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: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -27.885966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.885966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.885966 (E_RNA) where: Base-Base interactions energy: -3.184 where: short stacking energy: -3.184 Base-Backbone interact. energy: -0.103 local terms energy: -24.599520 where: bonds (distance) C4'-P energy: -6.265 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -5.247 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: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -39.186532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.186532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.186532 (E_RNA) where: Base-Base interactions energy: -11.502 where: short stacking energy: -11.502 Base-Backbone interact. energy: -0.000 local terms energy: -27.684173 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -5.732 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: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -39.365931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.365931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.365931 (E_RNA) where: Base-Base interactions energy: -13.995 where: short stacking energy: -13.995 Base-Backbone interact. energy: -0.000 local terms energy: -25.370845 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -3.773 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: 3, replica: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -34.149430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.149430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.149430 (E_RNA) where: Base-Base interactions energy: -7.931 where: short stacking energy: -7.931 Base-Backbone interact. energy: -0.000 local terms energy: -26.218226 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -5.480 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: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -30.982437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.982437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.982437 (E_RNA) where: Base-Base interactions energy: -3.834 where: short stacking energy: -3.834 Base-Backbone interact. energy: -0.378 local terms energy: -26.769892 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -3.542 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: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -33.694396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.694396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.694396 (E_RNA) where: Base-Base interactions energy: -9.661 where: short stacking energy: -9.661 Base-Backbone interact. energy: -0.137 local terms energy: -23.896909 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -4.921 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.975 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: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -30.987736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.987736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.987736 (E_RNA) where: Base-Base interactions energy: -8.021 where: short stacking energy: -8.021 Base-Backbone interact. energy: -0.006 local terms energy: -22.961076 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.520 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: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -30.310599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.310599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.310599 (E_RNA) where: Base-Base interactions energy: -10.225 where: short stacking energy: -10.225 Base-Backbone interact. energy: -0.001 local terms energy: -20.084076 where: bonds (distance) C4'-P energy: -3.604 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -3.151 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: 8, replica: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -26.166054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.166054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.166054 (E_RNA) where: Base-Base interactions energy: -5.775 where: short stacking energy: -5.775 Base-Backbone interact. energy: -0.033 local terms energy: -20.357999 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -2.812 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: 9, replica: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -30.328973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.328973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.328973 (E_RNA) where: Base-Base interactions energy: -6.951 where: short stacking energy: -6.951 Base-Backbone interact. energy: -0.099 local terms energy: -23.278957 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.829 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: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -33.226641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.226641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.226641 (E_RNA) where: Base-Base interactions energy: -5.402 where: short stacking energy: -5.402 Base-Backbone interact. energy: -0.000 local terms energy: -27.825015 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -4.021 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: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -34.978303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.978303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.978303 (E_RNA) where: Base-Base interactions energy: -7.364 where: short stacking energy: -7.364 Base-Backbone interact. energy: 1.359 local terms energy: -28.973488 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -5.521 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: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -40.948711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.948711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.948711 (E_RNA) where: Base-Base interactions energy: -10.916 where: short stacking energy: -10.916 Base-Backbone interact. energy: -0.005 local terms energy: -30.028540 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -34.955420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.955420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.955420 (E_RNA) where: Base-Base interactions energy: -10.916 where: short stacking energy: -10.916 Base-Backbone interact. energy: -0.132 local terms energy: -23.907748 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -5.759 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -37.456779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.456779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.456779 (E_RNA) where: Base-Base interactions energy: -9.814 where: short stacking energy: -9.814 Base-Backbone interact. energy: -0.051 local terms energy: -27.591630 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -4.575 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: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -42.601659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.601659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.601659 (E_RNA) where: Base-Base interactions energy: -12.688 where: short stacking energy: -12.688 Base-Backbone interact. energy: -0.016 local terms energy: -29.898621 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -32.458429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.458429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.458429 (E_RNA) where: Base-Base interactions energy: -6.076 where: short stacking energy: -6.076 Base-Backbone interact. energy: -0.000 local terms energy: -26.382213 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -5.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -29.456738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.456738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.456738 (E_RNA) where: Base-Base interactions energy: -3.231 where: short stacking energy: -3.231 Base-Backbone interact. energy: -0.008 local terms energy: -26.217332 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -31.123985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.123985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.123985 (E_RNA) where: Base-Base interactions energy: -8.825 where: short stacking energy: -8.825 Base-Backbone interact. energy: -0.003 local terms energy: -22.296374 where: bonds (distance) C4'-P energy: -5.455 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.543 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: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -34.419941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.419941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.419941 (E_RNA) where: Base-Base interactions energy: -11.145 where: short stacking energy: -11.145 Base-Backbone interact. energy: 0.057 local terms energy: -23.331930 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -3.332 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -3.578 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: 10, replica: 5 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -27.432113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.432113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.432113 (E_RNA) where: Base-Base interactions energy: -5.109 where: short stacking energy: -3.811 Base-Backbone interact. energy: -0.124 local terms energy: -22.199253 where: bonds (distance) C4'-P energy: -5.036 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: 0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -38.147978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.147978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.147978 (E_RNA) where: Base-Base interactions energy: -12.086 where: short stacking energy: -12.086 Base-Backbone interact. energy: -0.017 local terms energy: -26.044331 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.796 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: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -34.430362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.430362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.430362 (E_RNA) where: Base-Base interactions energy: -9.364 where: short stacking energy: -7.542 Base-Backbone interact. energy: -0.009 local terms energy: -25.056719 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -5.882 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -39.160402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.160402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.160402 (E_RNA) where: Base-Base interactions energy: -14.269 where: short stacking energy: -14.269 Base-Backbone interact. energy: -0.017 local terms energy: -24.874003 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -2.358 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: 4, replica: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -38.727122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.727122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.727122 (E_RNA) where: Base-Base interactions energy: -8.612 where: short stacking energy: -8.612 Base-Backbone interact. energy: -0.000 local terms energy: -30.114763 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -6.166 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: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -33.442884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.442884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.442884 (E_RNA) where: Base-Base interactions energy: -13.080 where: short stacking energy: -13.080 Base-Backbone interact. energy: -0.154 local terms energy: -20.209602 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -2.739 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: 6, replica: 9 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -30.929174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.929174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.929174 (E_RNA) where: Base-Base interactions energy: -8.169 where: short stacking energy: -8.169 Base-Backbone interact. energy: -0.165 local terms energy: -22.595019 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -4.083 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: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -30.262715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.262715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.262715 (E_RNA) where: Base-Base interactions energy: -5.701 where: short stacking energy: -5.701 Base-Backbone interact. energy: -0.000 local terms energy: -24.561533 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -2.885 tors. eta vs tors. theta energy: -0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -31.615251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.615251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.615251 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.001 local terms energy: -22.759527 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -2.152 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: 363 Temperature: 1.300000 Total energy: -27.185859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.185859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.185859 (E_RNA) where: Base-Base interactions energy: -1.241 where: short stacking energy: -1.241 Base-Backbone interact. energy: -0.017 local terms energy: -25.927904 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -5.205 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: 10, replica: 5 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -28.169283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.169283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.169283 (E_RNA) where: Base-Base interactions energy: -11.916 where: short stacking energy: -9.056 Base-Backbone interact. energy: 1.346 local terms energy: -17.599367 where: bonds (distance) C4'-P energy: -3.658 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -1.015 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -36.623766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.623766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.623766 (E_RNA) where: Base-Base interactions energy: -11.138 where: short stacking energy: -11.138 Base-Backbone interact. energy: 0.413 local terms energy: -25.899325 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -40.644975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.644975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.644975 (E_RNA) where: Base-Base interactions energy: -14.428 where: short stacking energy: -14.428 Base-Backbone interact. energy: -0.000 local terms energy: -26.216675 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -33.343187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.343187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.343187 (E_RNA) where: Base-Base interactions energy: -5.759 where: short stacking energy: -5.759 Base-Backbone interact. energy: -0.002 local terms energy: -27.582489 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -36.083980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.083980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.083980 (E_RNA) where: Base-Base interactions energy: -7.821 where: short stacking energy: -7.824 Base-Backbone interact. energy: -1.642 local terms energy: -26.621081 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -4.943 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: 5, replica: 9 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -32.086885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.086885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.086885 (E_RNA) where: Base-Base interactions energy: -5.886 where: short stacking energy: -5.886 Base-Backbone interact. energy: -0.015 local terms energy: -26.185324 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -4.368 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: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -33.930002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.930002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.930002 (E_RNA) where: Base-Base interactions energy: -9.593 where: short stacking energy: -9.593 Base-Backbone interact. energy: -0.002 local terms energy: -24.335289 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.538 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -4.867 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: 7, replica: 7 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -33.382957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.382957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.382957 (E_RNA) where: Base-Base interactions energy: -9.669 where: short stacking energy: -9.669 Base-Backbone interact. energy: 0.640 local terms energy: -24.353434 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -3.184 flat angles P-C4'-P energy: -5.366 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: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -33.492979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.492979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.492979 (E_RNA) where: Base-Base interactions energy: -6.596 where: short stacking energy: -6.596 Base-Backbone interact. energy: -0.038 local terms energy: -26.859171 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -2.968 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -29.067166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.067166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.067166 (E_RNA) where: Base-Base interactions energy: -6.835 where: short stacking energy: -6.835 Base-Backbone interact. energy: -0.000 local terms energy: -22.232174 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.750 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -1.966 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -33.848539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.848539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.848539 (E_RNA) where: Base-Base interactions energy: -6.420 where: short stacking energy: -6.420 Base-Backbone interact. energy: -0.001 local terms energy: -27.427252 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -5.414 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: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -44.347935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.347935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.347935 (E_RNA) where: Base-Base interactions energy: -14.918 where: short stacking energy: -14.918 Base-Backbone interact. energy: -0.000 local terms energy: -29.429225 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -4.776 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: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -37.996114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.996114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.996114 (E_RNA) where: Base-Base interactions energy: -11.079 where: short stacking energy: -11.079 Base-Backbone interact. energy: -0.003 local terms energy: -26.913817 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -5.786 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: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -37.732076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.732076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.732076 (E_RNA) where: Base-Base interactions energy: -9.677 where: short stacking energy: -9.677 Base-Backbone interact. energy: -0.001 local terms energy: -28.054077 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -5.354 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: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -33.592311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.592311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.592311 (E_RNA) where: Base-Base interactions energy: -10.372 where: short stacking energy: -9.628 Base-Backbone interact. energy: -0.151 local terms energy: -23.069397 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -4.078 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: 5, replica: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -33.943591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.943591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.943591 (E_RNA) where: Base-Base interactions energy: -11.286 where: short stacking energy: -11.286 Base-Backbone interact. energy: -0.000 local terms energy: -22.657593 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.997 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: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -36.001462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.001462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.001462 (E_RNA) where: Base-Base interactions energy: -11.579 where: short stacking energy: -11.579 Base-Backbone interact. energy: -0.000 local terms energy: -24.422212 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -3.166 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: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -32.060413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.060413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.060413 (E_RNA) where: Base-Base interactions energy: -7.518 where: short stacking energy: -7.518 Base-Backbone interact. energy: -0.000 local terms energy: -24.541870 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -5.600 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: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -30.071103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.071103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.071103 (E_RNA) where: Base-Base interactions energy: -10.467 where: short stacking energy: -10.148 Base-Backbone interact. energy: -0.117 local terms energy: -19.487005 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -4.198 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -32.180530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.180530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.180530 (E_RNA) where: Base-Base interactions energy: -8.954 where: short stacking energy: -8.954 Base-Backbone interact. energy: -0.041 local terms energy: -23.185930 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -1.227 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: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -30.594659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.594659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.594659 (E_RNA) where: Base-Base interactions energy: -6.661 where: short stacking energy: -6.661 Base-Backbone interact. energy: -0.084 local terms energy: -23.849786 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -39.045564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.045564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.045564 (E_RNA) where: Base-Base interactions energy: -12.951 where: short stacking energy: -12.951 Base-Backbone interact. energy: -0.060 local terms energy: -26.034951 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -6.065 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: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -36.698272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.698272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.698272 (E_RNA) where: Base-Base interactions energy: -8.578 where: short stacking energy: -8.578 Base-Backbone interact. energy: -0.456 local terms energy: -27.663769 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -4.909 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: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -35.918957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.918957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.918957 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.001 local terms energy: -25.233970 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -3.780 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: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -32.594481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594481 (E_RNA) where: Base-Base interactions energy: -6.870 where: short stacking energy: -6.870 Base-Backbone interact. energy: -0.087 local terms energy: -25.637406 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -33.184363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.184363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.184363 (E_RNA) where: Base-Base interactions energy: -10.405 where: short stacking energy: -10.405 Base-Backbone interact. energy: -0.098 local terms energy: -22.681195 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -1.950 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: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -31.632960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.632960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.632960 (E_RNA) where: Base-Base interactions energy: -8.414 where: short stacking energy: -8.414 Base-Backbone interact. energy: -0.043 local terms energy: -23.176289 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -2.849 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: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -36.054864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.054864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.054864 (E_RNA) where: Base-Base interactions energy: -11.998 where: short stacking energy: -11.998 Base-Backbone interact. energy: -0.055 local terms energy: -24.002238 where: bonds (distance) C4'-P energy: -5.164 bonds (distance) P-C4' energy: -2.787 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -6.001 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: 8, replica: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -28.751668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.751668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.751668 (E_RNA) where: Base-Base interactions energy: -5.979 where: short stacking energy: -5.979 Base-Backbone interact. energy: -0.007 local terms energy: -22.765572 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -5.497 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: 9, replica: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -34.599133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.599133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.599133 (E_RNA) where: Base-Base interactions energy: -9.165 where: short stacking energy: -8.671 Base-Backbone interact. energy: -0.008 local terms energy: -25.425524 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -4.611 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: 10, replica: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -28.506979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.506979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.506979 (E_RNA) where: Base-Base interactions energy: -8.480 where: short stacking energy: -8.480 Base-Backbone interact. energy: 1.366 local terms energy: -21.393396 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: 0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -39.850761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.850761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.850761 (E_RNA) where: Base-Base interactions energy: -12.529 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.000 local terms energy: -27.321884 where: bonds (distance) C4'-P energy: -3.711 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -4.857 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: 9 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -38.218195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.218195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.218195 (E_RNA) where: Base-Base interactions energy: -9.535 where: short stacking energy: -8.454 Base-Backbone interact. energy: -0.000 local terms energy: -28.683383 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -39.023964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.023964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.023964 (E_RNA) where: Base-Base interactions energy: -12.045 where: short stacking energy: -12.045 Base-Backbone interact. energy: -0.037 local terms energy: -26.942106 where: bonds (distance) C4'-P energy: -5.731 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -38.244174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.244174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.244174 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -11.368 Base-Backbone interact. energy: -0.062 local terms energy: -26.813474 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -5.002 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: 5, replica: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -35.403836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.403836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.403836 (E_RNA) where: Base-Base interactions energy: -10.819 where: short stacking energy: -10.819 Base-Backbone interact. energy: -0.040 local terms energy: -24.544725 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -3.262 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: 6, replica: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -32.686429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.686429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.686429 (E_RNA) where: Base-Base interactions energy: -10.396 where: short stacking energy: -10.396 Base-Backbone interact. energy: -0.000 local terms energy: -22.290393 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -1.926 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: 7, replica: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -33.034221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.034221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.034221 (E_RNA) where: Base-Base interactions energy: -7.303 where: short stacking energy: -7.303 Base-Backbone interact. energy: -0.052 local terms energy: -25.679438 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -3.352 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: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -30.319538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.319538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.319538 (E_RNA) where: Base-Base interactions energy: -6.503 where: short stacking energy: -6.503 Base-Backbone interact. energy: -0.130 local terms energy: -23.686503 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -3.771 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: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -26.438358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.438358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.438358 (E_RNA) where: Base-Base interactions energy: -3.679 where: short stacking energy: -3.679 Base-Backbone interact. energy: -0.001 local terms energy: -22.758195 where: bonds (distance) C4'-P energy: -5.218 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -27.048415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.048415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.048415 (E_RNA) where: Base-Base interactions energy: -3.466 where: short stacking energy: -3.566 Base-Backbone interact. energy: -0.056 local terms energy: -23.526439 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -3.384 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: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -38.889160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.889160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.889160 (E_RNA) where: Base-Base interactions energy: -17.067 where: short stacking energy: -6.073 Base-Backbone interact. energy: -0.019 local terms energy: -21.803116 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -3.335 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: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -38.995256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.995256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.995256 (E_RNA) where: Base-Base interactions energy: -14.420 where: short stacking energy: -14.420 Base-Backbone interact. energy: -0.141 local terms energy: -24.434138 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -38.448396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.448396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.448396 (E_RNA) where: Base-Base interactions energy: -10.275 where: short stacking energy: -10.275 Base-Backbone interact. energy: 0.641 local terms energy: -28.814895 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -4.191 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: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -32.493602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.493602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.493602 (E_RNA) where: Base-Base interactions energy: -6.016 where: short stacking energy: -6.016 Base-Backbone interact. energy: 0.189 local terms energy: -26.666756 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -3.529 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: 5, replica: 4 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -31.466763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.466763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.466763 (E_RNA) where: Base-Base interactions energy: -8.908 where: short stacking energy: -8.908 Base-Backbone interact. energy: -0.001 local terms energy: -22.558027 where: bonds (distance) C4'-P energy: -5.102 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -4.398 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: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -31.213014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.213014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.213014 (E_RNA) where: Base-Base interactions energy: -11.550 where: short stacking energy: -11.550 Base-Backbone interact. energy: -0.024 local terms energy: -19.638623 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -3.737 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -2.819 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: 7, replica: 10 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -28.503389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.503389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.503389 (E_RNA) where: Base-Base interactions energy: -8.192 where: short stacking energy: -8.192 Base-Backbone interact. energy: -0.003 local terms energy: -20.308855 where: bonds (distance) C4'-P energy: -4.200 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -4.955 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: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -26.666738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.666738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.666738 (E_RNA) where: Base-Base interactions energy: -5.391 where: short stacking energy: -5.391 Base-Backbone interact. energy: -0.146 local terms energy: -21.129982 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -3.206 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: 9, replica: 6 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -32.096504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.096504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.096504 (E_RNA) where: Base-Base interactions energy: -8.330 where: short stacking energy: -8.330 Base-Backbone interact. energy: -0.002 local terms energy: -23.765297 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -28.722425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.722425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.722425 (E_RNA) where: Base-Base interactions energy: -7.540 where: short stacking energy: -7.540 Base-Backbone interact. energy: 0.411 local terms energy: -21.592644 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.760 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: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -41.122613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.122613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.122613 (E_RNA) where: Base-Base interactions energy: -15.677 where: short stacking energy: -15.677 Base-Backbone interact. energy: -0.000 local terms energy: -25.445363 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -36.425739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.425739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.425739 (E_RNA) where: Base-Base interactions energy: -8.326 where: short stacking energy: -8.326 Base-Backbone interact. energy: -0.027 local terms energy: -28.072773 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -4.723 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: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -36.337955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.337955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.337955 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: 0.070 local terms energy: -27.868573 where: bonds (distance) C4'-P energy: -5.397 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -6.045 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: 4, replica: 4 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -35.859919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.859919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.859919 (E_RNA) where: Base-Base interactions energy: -12.124 where: short stacking energy: -12.124 Base-Backbone interact. energy: -0.053 local terms energy: -23.683168 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -32.481612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.481612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.481612 (E_RNA) where: Base-Base interactions energy: -10.073 where: short stacking energy: -10.073 Base-Backbone interact. energy: 0.244 local terms energy: -22.652999 where: bonds (distance) C4'-P energy: -5.036 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -34.152905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.152905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.152905 (E_RNA) where: Base-Base interactions energy: -10.900 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.041 local terms energy: -23.210984 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -4.685 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -3.146 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: 7, replica: 8 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -32.448235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.448235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.448235 (E_RNA) where: Base-Base interactions energy: -5.950 where: short stacking energy: -5.950 Base-Backbone interact. energy: 0.131 local terms energy: -26.629947 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -4.573 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: 8, replica: 6 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -32.937814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.937814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.937814 (E_RNA) where: Base-Base interactions energy: -9.280 where: short stacking energy: -9.280 Base-Backbone interact. energy: -0.009 local terms energy: -23.648554 where: bonds (distance) C4'-P energy: -3.028 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -4.974 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: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -27.857446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.857446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.857446 (E_RNA) where: Base-Base interactions energy: -4.461 where: short stacking energy: -4.461 Base-Backbone interact. energy: -0.005 local terms energy: -23.391200 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -4.240 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: 10, replica: 5 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -30.948405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.948405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.948405 (E_RNA) where: Base-Base interactions energy: -8.327 where: short stacking energy: -8.327 Base-Backbone interact. energy: -0.045 local terms energy: -22.576037 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: 0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -37.325313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.325313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.325313 (E_RNA) where: Base-Base interactions energy: -14.700 where: short stacking energy: -11.014 Base-Backbone interact. energy: -0.260 local terms energy: -22.364954 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -1.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -43.336463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.336463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.336463 (E_RNA) where: Base-Base interactions energy: -14.115 where: short stacking energy: -14.115 Base-Backbone interact. energy: -0.000 local terms energy: -29.221167 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: -5.790 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: 4 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -36.783833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.783833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.783833 (E_RNA) where: Base-Base interactions energy: -9.011 where: short stacking energy: -9.011 Base-Backbone interact. energy: -0.001 local terms energy: -27.772339 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -3.893 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: 4, replica: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -34.838066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.838066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.838066 (E_RNA) where: Base-Base interactions energy: -11.213 where: short stacking energy: -11.213 Base-Backbone interact. energy: -0.023 local terms energy: -23.602594 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -3.714 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -36.287338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.287338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.287338 (E_RNA) where: Base-Base interactions energy: -10.788 where: short stacking energy: -10.788 Base-Backbone interact. energy: -0.106 local terms energy: -25.393812 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -3.664 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: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -28.845894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.845894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.845894 (E_RNA) where: Base-Base interactions energy: -3.345 where: short stacking energy: -3.345 Base-Backbone interact. energy: -0.209 local terms energy: -25.292055 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -32.319272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.319272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.319272 (E_RNA) where: Base-Base interactions energy: -10.354 where: short stacking energy: -10.354 Base-Backbone interact. energy: -0.099 local terms energy: -21.865629 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.600 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: 8, replica: 8 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -29.854129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.854129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.854129 (E_RNA) where: Base-Base interactions energy: -5.558 where: short stacking energy: -5.558 Base-Backbone interact. energy: -0.000 local terms energy: -24.295755 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -3.630 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: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -34.173978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.173978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.173978 (E_RNA) where: Base-Base interactions energy: -11.046 where: short stacking energy: -11.046 Base-Backbone interact. energy: -0.004 local terms energy: -23.123867 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -30.207483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.207483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.207483 (E_RNA) where: Base-Base interactions energy: -6.463 where: short stacking energy: -6.463 Base-Backbone interact. energy: -0.033 local terms energy: -23.711439 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: 1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -43.935211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.935211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.935211 (E_RNA) where: Base-Base interactions energy: -12.463 where: short stacking energy: -12.463 Base-Backbone interact. energy: -0.536 local terms energy: -30.936570 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -3.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -37.442151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.442151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.442151 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.097 local terms energy: -26.109052 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -38.966379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.966379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.966379 (E_RNA) where: Base-Base interactions energy: -11.843 where: short stacking energy: -11.843 Base-Backbone interact. energy: -0.000 local terms energy: -27.123737 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -34.069280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.069280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.069280 (E_RNA) where: Base-Base interactions energy: -11.159 where: short stacking energy: -11.159 Base-Backbone interact. energy: -0.039 local terms energy: -22.870810 where: bonds (distance) C4'-P energy: -3.894 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -1.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -33.676889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.676889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.676889 (E_RNA) where: Base-Base interactions energy: -9.986 where: short stacking energy: -9.986 Base-Backbone interact. energy: -0.070 local terms energy: -23.621316 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -34.836361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.836361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.836361 (E_RNA) where: Base-Base interactions energy: -5.769 where: short stacking energy: -5.769 Base-Backbone interact. energy: -0.000 local terms energy: -29.067743 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -3.255 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: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -29.623260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.623260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.623260 (E_RNA) where: Base-Base interactions energy: -10.386 where: short stacking energy: -10.386 Base-Backbone interact. energy: -0.000 local terms energy: -19.237103 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -3.809 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: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -31.371097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.371097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.371097 (E_RNA) where: Base-Base interactions energy: -7.880 where: short stacking energy: -7.880 Base-Backbone interact. energy: -0.174 local terms energy: -23.317388 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -4.031 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: 9, replica: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -29.004890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.004890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.004890 (E_RNA) where: Base-Base interactions energy: -8.906 where: short stacking energy: -7.854 Base-Backbone interact. energy: -0.204 local terms energy: -19.894217 where: bonds (distance) C4'-P energy: -4.721 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -4.087 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: 371 Temperature: 1.350000 Total energy: -31.627777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.627777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.627777 (E_RNA) where: Base-Base interactions energy: -8.274 where: short stacking energy: -8.274 Base-Backbone interact. energy: -0.010 local terms energy: -23.343934 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -3.134 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: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -42.126023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.126023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.126023 (E_RNA) where: Base-Base interactions energy: -12.802 where: short stacking energy: -12.802 Base-Backbone interact. energy: -0.000 local terms energy: -29.324154 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -38.919118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.919118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.919118 (E_RNA) where: Base-Base interactions energy: -11.300 where: short stacking energy: -11.300 Base-Backbone interact. energy: -0.000 local terms energy: -27.619120 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.218 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -5.876 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: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -41.543294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.543294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.543294 (E_RNA) where: Base-Base interactions energy: -15.590 where: short stacking energy: -15.590 Base-Backbone interact. energy: 0.351 local terms energy: -26.304281 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -6.050 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: 4, replica: 9 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -37.650594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.650594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.650594 (E_RNA) where: Base-Base interactions energy: -9.172 where: short stacking energy: -9.172 Base-Backbone interact. energy: -0.007 local terms energy: -28.471458 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -4.449 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: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -35.398534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.398534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.398534 (E_RNA) where: Base-Base interactions energy: -9.410 where: short stacking energy: -9.410 Base-Backbone interact. energy: -0.027 local terms energy: -25.961402 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.508 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: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -30.273422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.273422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.273422 (E_RNA) where: Base-Base interactions energy: -3.981 where: short stacking energy: -3.981 Base-Backbone interact. energy: -0.004 local terms energy: -26.288542 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -3.321 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: 8 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -31.923420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.923420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.923420 (E_RNA) where: Base-Base interactions energy: -3.196 where: short stacking energy: -3.196 Base-Backbone interact. energy: -0.005 local terms energy: -28.722627 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -5.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -26.996061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.996061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.996061 (E_RNA) where: Base-Base interactions energy: -5.611 where: short stacking energy: -5.611 Base-Backbone interact. energy: -0.003 local terms energy: -21.381824 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -4.060 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: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -30.614017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.614017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.614017 (E_RNA) where: Base-Base interactions energy: -7.387 where: short stacking energy: -7.387 Base-Backbone interact. energy: -0.012 local terms energy: -23.214354 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -28.548741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.548741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.548741 (E_RNA) where: Base-Base interactions energy: -4.197 where: short stacking energy: -4.197 Base-Backbone interact. energy: -0.002 local terms energy: -24.349333 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -5.206 tors. eta vs tors. theta energy: 1.345 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: 1, replica: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -42.799546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.799546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.799546 (E_RNA) where: Base-Base interactions energy: -13.483 where: short stacking energy: -13.944 Base-Backbone interact. energy: -0.000 local terms energy: -29.316163 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -4.815 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: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -37.387443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.387443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.387443 (E_RNA) where: Base-Base interactions energy: -10.111 where: short stacking energy: -10.111 Base-Backbone interact. energy: -0.004 local terms energy: -27.273038 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -5.221 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: 3, replica: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -32.701794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.701794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.701794 (E_RNA) where: Base-Base interactions energy: -6.153 where: short stacking energy: -6.153 Base-Backbone interact. energy: -0.198 local terms energy: -26.350315 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -5.319 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: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -32.615338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.615338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.615338 (E_RNA) where: Base-Base interactions energy: -9.915 where: short stacking energy: -6.891 Base-Backbone interact. energy: 0.252 local terms energy: -22.952982 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -36.112164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.112164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.112164 (E_RNA) where: Base-Base interactions energy: -6.774 where: short stacking energy: -6.774 Base-Backbone interact. energy: -0.077 local terms energy: -29.260563 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -3.396 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: 6, replica: 8 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -34.375787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.375787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.375787 (E_RNA) where: Base-Base interactions energy: -14.680 where: short stacking energy: -14.680 Base-Backbone interact. energy: -0.012 local terms energy: -19.683370 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -0.341 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: 7, replica: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -36.214250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.214250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.214250 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -12.931 Base-Backbone interact. energy: -0.081 local terms energy: -23.202977 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -34.185776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.185776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.185776 (E_RNA) where: Base-Base interactions energy: -9.506 where: short stacking energy: -9.506 Base-Backbone interact. energy: -0.023 local terms energy: -24.656577 where: bonds (distance) C4'-P energy: -3.434 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -5.756 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: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -28.559100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.559100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.559100 (E_RNA) where: Base-Base interactions energy: -5.110 where: short stacking energy: -5.110 Base-Backbone interact. energy: -0.013 local terms energy: -23.435595 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.971 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: 10, replica: 5 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -32.772221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.772221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.772221 (E_RNA) where: Base-Base interactions energy: -4.511 where: short stacking energy: -4.511 Base-Backbone interact. energy: -0.035 local terms energy: -28.226778 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -5.428 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: 1, replica: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -37.934647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.934647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.934647 (E_RNA) where: Base-Base interactions energy: -9.775 where: short stacking energy: -9.775 Base-Backbone interact. energy: -0.000 local terms energy: -28.159931 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -35.963831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.963831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.963831 (E_RNA) where: Base-Base interactions energy: -8.996 where: short stacking energy: -8.996 Base-Backbone interact. energy: -0.080 local terms energy: -26.887621 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -4.234 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: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -39.835557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.835557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.835557 (E_RNA) where: Base-Base interactions energy: -14.385 where: short stacking energy: -14.385 Base-Backbone interact. energy: -0.000 local terms energy: -25.450857 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -4.767 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: 4, replica: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -37.602229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.602229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.602229 (E_RNA) where: Base-Base interactions energy: -11.524 where: short stacking energy: -11.524 Base-Backbone interact. energy: -0.008 local terms energy: -26.069789 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -4.925 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -4.394 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: 5, replica: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -35.534955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.534955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.534955 (E_RNA) where: Base-Base interactions energy: -14.173 where: short stacking energy: -14.173 Base-Backbone interact. energy: -0.000 local terms energy: -21.362173 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -4.447 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -1.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -34.582622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.582622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.582622 (E_RNA) where: Base-Base interactions energy: -5.960 where: short stacking energy: -5.960 Base-Backbone interact. energy: -0.030 local terms energy: -28.593011 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -5.808 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: 7, replica: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -32.217085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.217085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.217085 (E_RNA) where: Base-Base interactions energy: -9.307 where: short stacking energy: -9.307 Base-Backbone interact. energy: -0.013 local terms energy: -22.896581 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.796 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -3.403 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: 8, replica: 2 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -33.949924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.949924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.949924 (E_RNA) where: Base-Base interactions energy: -6.598 where: short stacking energy: -6.598 Base-Backbone interact. energy: -0.018 local terms energy: -27.334305 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -31.906569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.906569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.906569 (E_RNA) where: Base-Base interactions energy: -10.931 where: short stacking energy: -10.931 Base-Backbone interact. energy: -0.001 local terms energy: -20.974393 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -5.385 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -29.202593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.202593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.202593 (E_RNA) where: Base-Base interactions energy: -7.483 where: short stacking energy: -7.483 Base-Backbone interact. energy: -0.000 local terms energy: -21.719856 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -3.283 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: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -40.605087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.605087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.605087 (E_RNA) where: Base-Base interactions energy: -15.413 where: short stacking energy: -15.413 Base-Backbone interact. energy: -0.000 local terms energy: -25.191500 where: bonds (distance) C4'-P energy: -6.402 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -37.509880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.509880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.509880 (E_RNA) where: Base-Base interactions energy: -10.519 where: short stacking energy: -10.519 Base-Backbone interact. energy: -0.012 local terms energy: -26.979325 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -5.200 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: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -38.501752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.501752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.501752 (E_RNA) where: Base-Base interactions energy: -10.268 where: short stacking energy: -10.268 Base-Backbone interact. energy: -0.074 local terms energy: -28.159545 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -32.412286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.412286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.412286 (E_RNA) where: Base-Base interactions energy: -9.005 where: short stacking energy: -9.205 Base-Backbone interact. energy: 0.522 local terms energy: -23.929331 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -2.715 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -38.884386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.884386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.884386 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.258 Base-Backbone interact. energy: -0.000 local terms energy: -27.626104 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -39.511857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.511857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.511857 (E_RNA) where: Base-Base interactions energy: -14.408 where: short stacking energy: -14.408 Base-Backbone interact. energy: -0.000 local terms energy: -25.103099 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -3.042 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: 7, replica: 1 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -34.920993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.920993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.920993 (E_RNA) where: Base-Base interactions energy: -9.542 where: short stacking energy: -9.542 Base-Backbone interact. energy: -0.098 local terms energy: -25.280870 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -4.299 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: 8, replica: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -27.973434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.973434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.973434 (E_RNA) where: Base-Base interactions energy: -11.367 where: short stacking energy: -11.367 Base-Backbone interact. energy: -0.050 local terms energy: -16.556708 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.389 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -3.970 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: 9, replica: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -29.926424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.926424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.926424 (E_RNA) where: Base-Base interactions energy: -5.772 where: short stacking energy: -5.772 Base-Backbone interact. energy: -0.064 local terms energy: -24.089891 where: bonds (distance) C4'-P energy: -4.014 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -4.043 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: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -26.820048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.820048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.820048 (E_RNA) where: Base-Base interactions energy: -4.244 where: short stacking energy: -4.244 Base-Backbone interact. energy: -0.061 local terms energy: -22.514986 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.841 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: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -39.086150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.086150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.086150 (E_RNA) where: Base-Base interactions energy: -10.607 where: short stacking energy: -10.607 Base-Backbone interact. energy: -0.935 local terms energy: -27.543938 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -4.314 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: 2, replica: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -35.739184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.739184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.739184 (E_RNA) where: Base-Base interactions energy: -14.888 where: short stacking energy: -14.888 Base-Backbone interact. energy: -0.105 local terms energy: -20.745478 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -2.348 flat angles P-C4'-P energy: -5.463 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: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -40.059961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.059961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.059961 (E_RNA) where: Base-Base interactions energy: -13.206 where: short stacking energy: -13.206 Base-Backbone interact. energy: -0.000 local terms energy: -26.853996 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -5.477 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: 4, replica: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -39.849529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.849529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.849529 (E_RNA) where: Base-Base interactions energy: -12.411 where: short stacking energy: -12.411 Base-Backbone interact. energy: -0.000 local terms energy: -27.438864 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -4.877 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: 5, replica: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -28.916790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.916790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.916790 (E_RNA) where: Base-Base interactions energy: -7.179 where: short stacking energy: -6.638 Base-Backbone interact. energy: -0.167 local terms energy: -21.571647 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -4.520 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: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -31.778029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.778029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.778029 (E_RNA) where: Base-Base interactions energy: -7.039 where: short stacking energy: -7.039 Base-Backbone interact. energy: -0.000 local terms energy: -24.738828 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -33.385115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.385115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.385115 (E_RNA) where: Base-Base interactions energy: -12.224 where: short stacking energy: -12.224 Base-Backbone interact. energy: -0.001 local terms energy: -21.160109 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -1.713 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: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -32.498397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.498397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.498397 (E_RNA) where: Base-Base interactions energy: -7.263 where: short stacking energy: -7.263 Base-Backbone interact. energy: -0.002 local terms energy: -25.233985 where: bonds (distance) C4'-P energy: -4.167 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -31.988452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.988452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.988452 (E_RNA) where: Base-Base interactions energy: -4.659 where: short stacking energy: -4.659 Base-Backbone interact. energy: -0.000 local terms energy: -27.329650 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -27.522253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.522253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.522253 (E_RNA) where: Base-Base interactions energy: -3.104 where: short stacking energy: -3.104 Base-Backbone interact. energy: -0.000 local terms energy: -24.417845 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -2.764 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -36.473654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.473654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.473654 (E_RNA) where: Base-Base interactions energy: -10.283 where: short stacking energy: -10.283 Base-Backbone interact. energy: -0.001 local terms energy: -26.189129 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.505 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: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -34.966717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.966717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.966717 (E_RNA) where: Base-Base interactions energy: -11.570 where: short stacking energy: -11.570 Base-Backbone interact. energy: -0.040 local terms energy: -23.357562 where: bonds (distance) C4'-P energy: -4.378 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -4.998 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: 3, replica: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -33.309574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.309574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.309574 (E_RNA) where: Base-Base interactions energy: -3.590 where: short stacking energy: -3.590 Base-Backbone interact. energy: -0.000 local terms energy: -29.719205 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -38.904475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.904475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.904475 (E_RNA) where: Base-Base interactions energy: -11.367 where: short stacking energy: -11.367 Base-Backbone interact. energy: -0.052 local terms energy: -27.485274 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -5.636 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: 5, replica: 8 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -33.924184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.924184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.924184 (E_RNA) where: Base-Base interactions energy: -9.842 where: short stacking energy: -9.842 Base-Backbone interact. energy: -0.063 local terms energy: -24.019895 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -2.648 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -33.276192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.276192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.276192 (E_RNA) where: Base-Base interactions energy: -8.340 where: short stacking energy: -7.494 Base-Backbone interact. energy: -0.051 local terms energy: -24.885095 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -3.442 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: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -36.548258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.548258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.548258 (E_RNA) where: Base-Base interactions energy: -7.611 where: short stacking energy: -7.611 Base-Backbone interact. energy: -0.002 local terms energy: -28.935330 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -6.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -32.097951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.097951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.097951 (E_RNA) where: Base-Base interactions energy: -5.771 where: short stacking energy: -5.996 Base-Backbone interact. energy: -0.003 local terms energy: -26.323143 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -2.772 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: 1 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -28.242608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.242608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.242608 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: -0.061 local terms energy: -20.257026 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: 2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -29.085279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.085279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.085279 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.013 local terms energy: -21.812500 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -4.358 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -3.677 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: 1, replica: 6 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -42.503930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.503930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.503930 (E_RNA) where: Base-Base interactions energy: -15.083 where: short stacking energy: -15.083 Base-Backbone interact. energy: -0.008 local terms energy: -27.413095 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -41.895516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.895516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.895516 (E_RNA) where: Base-Base interactions energy: -15.426 where: short stacking energy: -15.426 Base-Backbone interact. energy: -0.000 local terms energy: -26.469840 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -37.912861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.912861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.912861 (E_RNA) where: Base-Base interactions energy: -10.670 where: short stacking energy: -10.670 Base-Backbone interact. energy: -0.042 local terms energy: -27.200541 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -34.070372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.070372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.070372 (E_RNA) where: Base-Base interactions energy: -6.975 where: short stacking energy: -6.975 Base-Backbone interact. energy: -0.083 local terms energy: -27.012291 where: bonds (distance) C4'-P energy: -5.711 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -3.619 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: 5, replica: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -31.339448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.339448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.339448 (E_RNA) where: Base-Base interactions energy: -7.487 where: short stacking energy: -7.487 Base-Backbone interact. energy: -0.012 local terms energy: -23.840291 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -4.613 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: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -31.481949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.481949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.481949 (E_RNA) where: Base-Base interactions energy: -7.860 where: short stacking energy: -7.860 Base-Backbone interact. energy: -0.001 local terms energy: -23.620758 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -34.153138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.153138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.153138 (E_RNA) where: Base-Base interactions energy: -10.655 where: short stacking energy: -10.655 Base-Backbone interact. energy: -0.029 local terms energy: -23.470012 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -3.243 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: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -30.114670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.114670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.114670 (E_RNA) where: Base-Base interactions energy: -6.396 where: short stacking energy: -6.396 Base-Backbone interact. energy: -0.055 local terms energy: -23.663755 where: bonds (distance) C4'-P energy: -4.486 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -5.399 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: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -30.964212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.964212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.964212 (E_RNA) where: Base-Base interactions energy: -6.866 where: short stacking energy: -6.866 Base-Backbone interact. energy: -0.101 local terms energy: -23.998067 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -1.177 tors. eta vs tors. theta energy: -0.948 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: 10, replica: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -31.907701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.907701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.907701 (E_RNA) where: Base-Base interactions energy: -7.019 where: short stacking energy: -7.019 Base-Backbone interact. energy: -0.000 local terms energy: -24.888297 where: bonds (distance) C4'-P energy: -6.025 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -43.467309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.467309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.467309 (E_RNA) where: Base-Base interactions energy: -14.775 where: short stacking energy: -14.775 Base-Backbone interact. energy: -0.003 local terms energy: -28.689145 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -5.556 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: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -34.241934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.241934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.241934 (E_RNA) where: Base-Base interactions energy: -7.785 where: short stacking energy: -8.585 Base-Backbone interact. energy: -0.100 local terms energy: -26.357404 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -35.899486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.899486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.899486 (E_RNA) where: Base-Base interactions energy: -11.759 where: short stacking energy: -11.759 Base-Backbone interact. energy: -0.001 local terms energy: -24.139775 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -5.025 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: 4, replica: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -35.233694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.233694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.233694 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -7.889 Base-Backbone interact. energy: -0.006 local terms energy: -27.338577 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -6.084 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -4.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -34.922940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.922940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.922940 (E_RNA) where: Base-Base interactions energy: -12.030 where: short stacking energy: -12.030 Base-Backbone interact. energy: -0.001 local terms energy: -22.892562 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.271 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -4.336 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: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -30.993675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.993675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.993675 (E_RNA) where: Base-Base interactions energy: -5.344 where: short stacking energy: -5.344 Base-Backbone interact. energy: -0.021 local terms energy: -25.627930 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -4.980 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: 7, replica: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -32.037261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.037261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.037261 (E_RNA) where: Base-Base interactions energy: -9.756 where: short stacking energy: -8.238 Base-Backbone interact. energy: -0.012 local terms energy: -22.268920 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -5.000 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: 8, replica: 2 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -32.325159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.325159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.325159 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -7.861 Base-Backbone interact. energy: -0.033 local terms energy: -24.431875 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -5.045 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: 5 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -30.789761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.789761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.789761 (E_RNA) where: Base-Base interactions energy: -10.558 where: short stacking energy: -8.577 Base-Backbone interact. energy: -0.006 local terms energy: -20.225766 where: bonds (distance) C4'-P energy: -1.356 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -3.629 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: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -25.886924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.886924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.886924 (E_RNA) where: Base-Base interactions energy: -4.200 where: short stacking energy: -4.200 Base-Backbone interact. energy: -0.060 local terms energy: -21.626926 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -2.303 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -39.984699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.984699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.984699 (E_RNA) where: Base-Base interactions energy: -14.678 where: short stacking energy: -11.464 Base-Backbone interact. energy: -0.028 local terms energy: -25.278540 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -4.584 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: 2, replica: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -38.523412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.523412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.523412 (E_RNA) where: Base-Base interactions energy: -13.723 where: short stacking energy: -11.776 Base-Backbone interact. energy: -0.118 local terms energy: -24.682680 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -38.341478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.341478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.341478 (E_RNA) where: Base-Base interactions energy: -14.969 where: short stacking energy: -14.969 Base-Backbone interact. energy: -0.001 local terms energy: -23.371775 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -3.989 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: 4, replica: 4 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -39.799380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.799380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.799380 (E_RNA) where: Base-Base interactions energy: -11.091 where: short stacking energy: -11.091 Base-Backbone interact. energy: -0.007 local terms energy: -28.700790 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -3.590 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: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -35.883427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.883427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.883427 (E_RNA) where: Base-Base interactions energy: -12.722 where: short stacking energy: -12.722 Base-Backbone interact. energy: 0.364 local terms energy: -23.525907 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -2.750 tors. eta vs tors. theta energy: -4.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -34.644298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.644298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.644298 (E_RNA) where: Base-Base interactions energy: -6.104 where: short stacking energy: -6.104 Base-Backbone interact. energy: -0.002 local terms energy: -28.538030 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -5.653 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: 7, replica: 2 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -32.936423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.936423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.936423 (E_RNA) where: Base-Base interactions energy: -7.975 where: short stacking energy: -7.975 Base-Backbone interact. energy: -0.090 local terms energy: -24.871738 where: bonds (distance) C4'-P energy: -4.076 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -3.926 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: 8, replica: 8 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -33.489303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.489303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.489303 (E_RNA) where: Base-Base interactions energy: -9.468 where: short stacking energy: -9.468 Base-Backbone interact. energy: -0.004 local terms energy: -24.017031 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -5.506 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: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -30.820312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.820312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.820312 (E_RNA) where: Base-Base interactions energy: -12.706 where: short stacking energy: -12.706 Base-Backbone interact. energy: -0.071 local terms energy: -18.043326 where: bonds (distance) C4'-P energy: -3.649 bonds (distance) P-C4' energy: -5.094 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -1.083 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -26.919416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.919416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.919416 (E_RNA) where: Base-Base interactions energy: -3.188 where: short stacking energy: -3.188 Base-Backbone interact. energy: -0.096 local terms energy: -23.634790 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -3.762 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: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -36.563284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.563284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.563284 (E_RNA) where: Base-Base interactions energy: -10.134 where: short stacking energy: -10.134 Base-Backbone interact. energy: -0.000 local terms energy: -26.429609 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -37.407429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.407429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.407429 (E_RNA) where: Base-Base interactions energy: -12.390 where: short stacking energy: -12.390 Base-Backbone interact. energy: -0.000 local terms energy: -25.017131 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -31.826167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.826167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.826167 (E_RNA) where: Base-Base interactions energy: -8.601 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.266 local terms energy: -22.959229 where: bonds (distance) C4'-P energy: -5.255 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -33.707816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.707816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.707816 (E_RNA) where: Base-Base interactions energy: -10.950 where: short stacking energy: -10.950 Base-Backbone interact. energy: -0.010 local terms energy: -22.747978 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -2.892 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: 5, replica: 4 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -33.482235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.482235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.482235 (E_RNA) where: Base-Base interactions energy: -7.914 where: short stacking energy: -7.914 Base-Backbone interact. energy: -0.025 local terms energy: -25.542699 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -3.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -35.878791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.878791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.878791 (E_RNA) where: Base-Base interactions energy: -6.670 where: short stacking energy: -6.670 Base-Backbone interact. energy: -0.000 local terms energy: -29.208745 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -5.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -31.411018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.411018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.411018 (E_RNA) where: Base-Base interactions energy: -8.714 where: short stacking energy: -5.555 Base-Backbone interact. energy: -0.345 local terms energy: -22.352535 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -2.690 flat angles P-C4'-P energy: -3.272 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: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -29.521398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.521398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.521398 (E_RNA) where: Base-Base interactions energy: -6.280 where: short stacking energy: -6.280 Base-Backbone interact. energy: -0.037 local terms energy: -23.204069 where: bonds (distance) C4'-P energy: -4.180 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -4.353 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: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -33.096923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.096923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.096923 (E_RNA) where: Base-Base interactions energy: -9.646 where: short stacking energy: -9.646 Base-Backbone interact. energy: -0.000 local terms energy: -23.450681 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.168 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: 10, replica: 5 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -27.436076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.436076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.436076 (E_RNA) where: Base-Base interactions energy: -3.480 where: short stacking energy: -3.480 Base-Backbone interact. energy: -0.022 local terms energy: -23.934107 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -38.761746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.761746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.761746 (E_RNA) where: Base-Base interactions energy: -11.170 where: short stacking energy: -11.170 Base-Backbone interact. energy: -0.005 local terms energy: -27.586777 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -5.512 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: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -37.318858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.318858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.318858 (E_RNA) where: Base-Base interactions energy: -12.625 where: short stacking energy: -12.625 Base-Backbone interact. energy: -0.014 local terms energy: -24.679940 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -5.005 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: 6 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -33.793257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.793257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.793257 (E_RNA) where: Base-Base interactions energy: -8.515 where: short stacking energy: -8.689 Base-Backbone interact. energy: -0.077 local terms energy: -25.201740 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -5.442 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: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -32.935600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.935600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.935600 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.450 Base-Backbone interact. energy: -0.034 local terms energy: -25.439108 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -4.027 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: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -30.826284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.826284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.826284 (E_RNA) where: Base-Base interactions energy: -7.607 where: short stacking energy: -3.993 Base-Backbone interact. energy: -0.192 local terms energy: -23.027593 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -4.204 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: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -31.766398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.766398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.766398 (E_RNA) where: Base-Base interactions energy: -8.178 where: short stacking energy: -8.178 Base-Backbone interact. energy: -0.000 local terms energy: -23.588537 where: bonds (distance) C4'-P energy: -4.502 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -31.171691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.171691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.171691 (E_RNA) where: Base-Base interactions energy: -9.540 where: short stacking energy: -9.540 Base-Backbone interact. energy: -0.001 local terms energy: -21.630293 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -2.898 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -37.900397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.900397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.900397 (E_RNA) where: Base-Base interactions energy: -11.791 where: short stacking energy: -11.791 Base-Backbone interact. energy: -0.000 local terms energy: -26.108915 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -3.716 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: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -28.389470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.389470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.389470 (E_RNA) where: Base-Base interactions energy: -6.756 where: short stacking energy: -6.756 Base-Backbone interact. energy: -0.106 local terms energy: -21.527013 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -1.840 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: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -26.763259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.763259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.763259 (E_RNA) where: Base-Base interactions energy: -6.339 where: short stacking energy: -6.339 Base-Backbone interact. energy: -0.051 local terms energy: -20.373269 where: bonds (distance) C4'-P energy: -4.498 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -4.430 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: 1, replica: 7 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -41.087189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.087189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.087189 (E_RNA) where: Base-Base interactions energy: -13.440 where: short stacking energy: -13.440 Base-Backbone interact. energy: 0.268 local terms energy: -27.915535 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -3.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -37.420175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.420175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.420175 (E_RNA) where: Base-Base interactions energy: -11.041 where: short stacking energy: -11.041 Base-Backbone interact. energy: -0.000 local terms energy: -26.378747 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -5.198 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: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -33.781145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.781145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.781145 (E_RNA) where: Base-Base interactions energy: -12.392 where: short stacking energy: -12.392 Base-Backbone interact. energy: -0.050 local terms energy: -21.338796 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -32.611106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.611106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.611106 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.102 local terms energy: -25.249541 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -5.413 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: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -29.878297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.878297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.878297 (E_RNA) where: Base-Base interactions energy: -5.774 where: short stacking energy: -5.774 Base-Backbone interact. energy: -0.000 local terms energy: -24.104628 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: 0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -30.748090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.748090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.748090 (E_RNA) where: Base-Base interactions energy: -12.176 where: short stacking energy: -12.176 Base-Backbone interact. energy: -0.001 local terms energy: -18.571161 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.852 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -2.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -28.882558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.882558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.882558 (E_RNA) where: Base-Base interactions energy: -5.570 where: short stacking energy: -3.401 Base-Backbone interact. energy: -0.602 local terms energy: -22.710478 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: 1.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -35.670105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.670105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.670105 (E_RNA) where: Base-Base interactions energy: -9.333 where: short stacking energy: -9.333 Base-Backbone interact. energy: -0.039 local terms energy: -26.298117 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -28.376599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.376599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.376599 (E_RNA) where: Base-Base interactions energy: -7.606 where: short stacking energy: -4.984 Base-Backbone interact. energy: -0.008 local terms energy: -20.762767 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -4.918 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -2.131 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: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -26.346398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.346398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.346398 (E_RNA) where: Base-Base interactions energy: -7.153 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.027 local terms energy: -19.166439 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: 2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -43.358519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.358519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.358519 (E_RNA) where: Base-Base interactions energy: -14.944 where: short stacking energy: -14.944 Base-Backbone interact. energy: -0.000 local terms energy: -28.414710 where: bonds (distance) C4'-P energy: -4.410 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -4.186 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: 2, replica: 7 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -41.758406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.758406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.758406 (E_RNA) where: Base-Base interactions energy: -14.273 where: short stacking energy: -14.273 Base-Backbone interact. energy: -0.096 local terms energy: -27.389274 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -4.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -34.279121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.279121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.279121 (E_RNA) where: Base-Base interactions energy: -9.093 where: short stacking energy: -9.093 Base-Backbone interact. energy: -0.291 local terms energy: -24.895813 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -5.755 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: 4, replica: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -38.584581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.584581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.584581 (E_RNA) where: Base-Base interactions energy: -11.253 where: short stacking energy: -11.253 Base-Backbone interact. energy: -0.000 local terms energy: -27.331934 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -4.001 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: 5, replica: 1 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -37.529428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.529428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.529428 (E_RNA) where: Base-Base interactions energy: -13.587 where: short stacking energy: -13.587 Base-Backbone interact. energy: -0.106 local terms energy: -23.836818 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -2.384 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: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -33.427548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.427548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.427548 (E_RNA) where: Base-Base interactions energy: -10.402 where: short stacking energy: -10.402 Base-Backbone interact. energy: -0.094 local terms energy: -22.931928 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -3.832 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: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -30.592226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.592226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.592226 (E_RNA) where: Base-Base interactions energy: -6.096 where: short stacking energy: -7.086 Base-Backbone interact. energy: -0.078 local terms energy: -24.418277 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -5.242 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: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -31.298699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.298699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.298699 (E_RNA) where: Base-Base interactions energy: -7.014 where: short stacking energy: -7.014 Base-Backbone interact. energy: -0.000 local terms energy: -24.284314 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.222 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -32.113618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.113618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.113618 (E_RNA) where: Base-Base interactions energy: -7.368 where: short stacking energy: -7.368 Base-Backbone interact. energy: -0.051 local terms energy: -24.693907 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.737 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -29.956181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.956181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.956181 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.000 local terms energy: -22.930493 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -38.679470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.679470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.679470 (E_RNA) where: Base-Base interactions energy: -9.537 where: short stacking energy: -9.537 Base-Backbone interact. energy: -0.000 local terms energy: -29.142596 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -5.452 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: 2, replica: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -37.541625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.541625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.541625 (E_RNA) where: Base-Base interactions energy: -12.589 where: short stacking energy: -11.211 Base-Backbone interact. energy: -0.085 local terms energy: -24.867178 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -30.748028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.748028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.748028 (E_RNA) where: Base-Base interactions energy: -4.858 where: short stacking energy: -4.858 Base-Backbone interact. energy: -0.002 local terms energy: -25.887592 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -4.304 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: 4, replica: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -30.059267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.059267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.059267 (E_RNA) where: Base-Base interactions energy: -3.567 where: short stacking energy: -3.567 Base-Backbone interact. energy: -0.000 local terms energy: -26.491948 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -33.455793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.455793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.455793 (E_RNA) where: Base-Base interactions energy: -9.643 where: short stacking energy: -9.643 Base-Backbone interact. energy: -0.001 local terms energy: -23.812035 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -33.711906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.711906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.711906 (E_RNA) where: Base-Base interactions energy: -9.886 where: short stacking energy: -9.886 Base-Backbone interact. energy: -0.001 local terms energy: -23.825034 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -32.314086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.314086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.314086 (E_RNA) where: Base-Base interactions energy: -8.425 where: short stacking energy: -8.425 Base-Backbone interact. energy: -0.053 local terms energy: -23.836861 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -3.276 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: 8, replica: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -29.895490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.895490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.895490 (E_RNA) where: Base-Base interactions energy: -12.890 where: short stacking energy: -12.890 Base-Backbone interact. energy: -0.012 local terms energy: -16.993353 where: bonds (distance) C4'-P energy: -2.706 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -1.189 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -0.578 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: 4 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -34.362232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.362232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.362232 (E_RNA) where: Base-Base interactions energy: -12.629 where: short stacking energy: -12.629 Base-Backbone interact. energy: -0.030 local terms energy: -21.703284 where: bonds (distance) C4'-P energy: -4.012 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -3.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -29.528544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.528544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.528544 (E_RNA) where: Base-Base interactions energy: -5.325 where: short stacking energy: -5.325 Base-Backbone interact. energy: -0.034 local terms energy: -24.169628 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -4.333 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: 6 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -38.049422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.049422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.049422 (E_RNA) where: Base-Base interactions energy: -12.195 where: short stacking energy: -12.195 Base-Backbone interact. energy: -0.000 local terms energy: -25.854796 where: bonds (distance) C4'-P energy: -2.800 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -33.882014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.882014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.882014 (E_RNA) where: Base-Base interactions energy: -6.264 where: short stacking energy: -5.842 Base-Backbone interact. energy: -0.099 local terms energy: -27.518168 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -34.294648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.294648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.294648 (E_RNA) where: Base-Base interactions energy: -11.268 where: short stacking energy: -10.795 Base-Backbone interact. energy: -0.095 local terms energy: -22.932276 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -2.896 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: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -33.280037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.280037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.280037 (E_RNA) where: Base-Base interactions energy: -8.074 where: short stacking energy: -8.074 Base-Backbone interact. energy: -0.000 local terms energy: -25.206296 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -5.329 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: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -36.427887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.427887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.427887 (E_RNA) where: Base-Base interactions energy: -10.794 where: short stacking energy: -10.794 Base-Backbone interact. energy: -0.001 local terms energy: -25.632690 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -2.030 tors. eta vs tors. theta energy: -4.604 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: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -38.107806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.107806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.107806 (E_RNA) where: Base-Base interactions energy: -12.244 where: short stacking energy: -12.244 Base-Backbone interact. energy: -0.047 local terms energy: -25.817266 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -5.725 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: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -32.258744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.258744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.258744 (E_RNA) where: Base-Base interactions energy: -10.392 where: short stacking energy: -10.392 Base-Backbone interact. energy: -0.024 local terms energy: -21.842364 where: bonds (distance) C4'-P energy: -4.659 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: 1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -28.527482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.527482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.527482 (E_RNA) where: Base-Base interactions energy: -7.082 where: short stacking energy: -7.082 Base-Backbone interact. energy: -0.013 local terms energy: -21.432427 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -5.650 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: 1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -30.021685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.021685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.021685 (E_RNA) where: Base-Base interactions energy: -7.876 where: short stacking energy: -7.876 Base-Backbone interact. energy: -0.001 local terms energy: -22.145272 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: 1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -28.188240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.188240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.188240 (E_RNA) where: Base-Base interactions energy: -5.712 where: short stacking energy: -5.712 Base-Backbone interact. energy: -0.000 local terms energy: -22.476383 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -4.312 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: 1, replica: 6 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -38.157566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.157566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.157566 (E_RNA) where: Base-Base interactions energy: -11.651 where: short stacking energy: -11.651 Base-Backbone interact. energy: -0.940 local terms energy: -25.565835 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -4.655 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: 2, replica: 1 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -35.854044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.854044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.854044 (E_RNA) where: Base-Base interactions energy: -10.689 where: short stacking energy: -10.689 Base-Backbone interact. energy: -0.000 local terms energy: -25.165153 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.522 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: 387 Temperature: 1.000000 Total energy: -34.449286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.449286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.449286 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.050 local terms energy: -26.060764 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -5.010 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: 4, replica: 5 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -32.109303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.109303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.109303 (E_RNA) where: Base-Base interactions energy: -6.909 where: short stacking energy: -6.909 Base-Backbone interact. energy: 0.510 local terms energy: -25.710830 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -2.234 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -36.633127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.633127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.633127 (E_RNA) where: Base-Base interactions energy: -9.802 where: short stacking energy: -9.802 Base-Backbone interact. energy: -0.000 local terms energy: -26.831492 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -35.021075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.021075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.021075 (E_RNA) where: Base-Base interactions energy: -9.791 where: short stacking energy: -9.791 Base-Backbone interact. energy: -0.012 local terms energy: -25.218563 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -31.292312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.292312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.292312 (E_RNA) where: Base-Base interactions energy: -9.076 where: short stacking energy: -8.746 Base-Backbone interact. energy: -0.374 local terms energy: -21.842052 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -5.254 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -3.915 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: 8, replica: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -31.904324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.904324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.904324 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.057 local terms energy: -20.489826 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.978 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -1.753 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: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -30.005126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.005126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.005126 (E_RNA) where: Base-Base interactions energy: -8.269 where: short stacking energy: -8.269 Base-Backbone interact. energy: -0.001 local terms energy: -21.735102 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -3.730 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: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -29.770478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.770478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.770478 (E_RNA) where: Base-Base interactions energy: -7.292 where: short stacking energy: -7.440 Base-Backbone interact. energy: -0.889 local terms energy: -21.590230 where: bonds (distance) C4'-P energy: -2.877 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -4.641 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: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -40.769053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.769053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.769053 (E_RNA) where: Base-Base interactions energy: -14.312 where: short stacking energy: -14.312 Base-Backbone interact. energy: -0.045 local terms energy: -26.411156 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.105 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: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -33.996395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.996395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.996395 (E_RNA) where: Base-Base interactions energy: -8.124 where: short stacking energy: -8.124 Base-Backbone interact. energy: -0.177 local terms energy: -25.695473 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -34.994198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.994198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.994198 (E_RNA) where: Base-Base interactions energy: -9.359 where: short stacking energy: -9.695 Base-Backbone interact. energy: -0.071 local terms energy: -25.564584 where: bonds (distance) C4'-P energy: -4.365 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -5.573 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: 4, replica: 2 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -33.712002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.712002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.712002 (E_RNA) where: Base-Base interactions energy: -11.664 where: short stacking energy: -7.080 Base-Backbone interact. energy: 0.077 local terms energy: -22.125745 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -3.805 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: 5, replica: 8 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -33.535862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.535862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.535862 (E_RNA) where: Base-Base interactions energy: -11.635 where: short stacking energy: -11.204 Base-Backbone interact. energy: -0.001 local terms energy: -21.900007 where: bonds (distance) C4'-P energy: -4.664 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -2.565 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: 6, replica: 7 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -32.538391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.538391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.538391 (E_RNA) where: Base-Base interactions energy: -8.324 where: short stacking energy: -8.324 Base-Backbone interact. energy: -0.058 local terms energy: -24.156557 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -5.745 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: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -31.390105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.390105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.390105 (E_RNA) where: Base-Base interactions energy: -6.793 where: short stacking energy: -6.793 Base-Backbone interact. energy: -0.018 local terms energy: -24.578932 where: bonds (distance) C4'-P energy: -2.814 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -4.395 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: 8, replica: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -35.841157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.841157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.841157 (E_RNA) where: Base-Base interactions energy: -8.020 where: short stacking energy: -8.020 Base-Backbone interact. energy: -0.007 local terms energy: -27.814150 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -1.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -30.213306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.213306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.213306 (E_RNA) where: Base-Base interactions energy: -11.669 where: short stacking energy: -11.669 Base-Backbone interact. energy: -0.000 local terms energy: -18.544392 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -3.520 flat angles P-C4'-P energy: -2.700 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: 10, replica: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -30.220819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.220819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.220819 (E_RNA) where: Base-Base interactions energy: -6.912 where: short stacking energy: -6.299 Base-Backbone interact. energy: 1.018 local terms energy: -24.326973 where: bonds (distance) C4'-P energy: -3.609 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -5.236 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: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -33.595348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.595348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.595348 (E_RNA) where: Base-Base interactions energy: -10.347 where: short stacking energy: -8.248 Base-Backbone interact. energy: -0.713 local terms energy: -22.534888 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -5.228 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: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -41.045867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.045867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.045867 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.052 local terms energy: -29.643119 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -5.913 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: 3, replica: 6 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -38.632778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.632778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.632778 (E_RNA) where: Base-Base interactions energy: -12.460 where: short stacking energy: -12.460 Base-Backbone interact. energy: -0.042 local terms energy: -26.130488 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -2.253 tors. eta vs tors. theta energy: -6.865 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: 4, replica: 8 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -35.455008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.455008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.455008 (E_RNA) where: Base-Base interactions energy: -11.371 where: short stacking energy: -11.371 Base-Backbone interact. energy: -0.704 local terms energy: -23.380229 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -3.996 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: 5, replica: 2 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -30.901474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.901474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.901474 (E_RNA) where: Base-Base interactions energy: -7.069 where: short stacking energy: -7.069 Base-Backbone interact. energy: -0.087 local terms energy: -23.745172 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.069 flat angles P-C4'-P energy: -5.427 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: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -30.075206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.075206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.075206 (E_RNA) where: Base-Base interactions energy: -8.999 where: short stacking energy: -8.999 Base-Backbone interact. energy: -0.195 local terms energy: -20.881189 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -1.105 tors. eta vs tors. theta energy: 0.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -36.729315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.729315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.729315 (E_RNA) where: Base-Base interactions energy: -11.803 where: short stacking energy: -11.803 Base-Backbone interact. energy: -0.010 local terms energy: -24.915478 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -36.389154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.389154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.389154 (E_RNA) where: Base-Base interactions energy: -10.572 where: short stacking energy: -10.572 Base-Backbone interact. energy: -0.007 local terms energy: -25.810239 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -4.725 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: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -34.074930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.074930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.074930 (E_RNA) where: Base-Base interactions energy: -5.484 where: short stacking energy: -5.484 Base-Backbone interact. energy: -0.000 local terms energy: -28.591224 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -5.206 tors. eta vs tors. theta energy: -5.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -27.608386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.608386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.608386 (E_RNA) where: Base-Base interactions energy: -4.256 where: short stacking energy: -4.256 Base-Backbone interact. energy: -0.073 local terms energy: -23.279960 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -38.915577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.915577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.915577 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -9.370 Base-Backbone interact. energy: -0.000 local terms energy: -28.858715 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -5.487 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: 2, replica: 1 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -40.790492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.790492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.790492 (E_RNA) where: Base-Base interactions energy: -10.572 where: short stacking energy: -10.572 Base-Backbone interact. energy: -0.000 local terms energy: -30.218721 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -5.368 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: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -33.351651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.351651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.351651 (E_RNA) where: Base-Base interactions energy: -7.596 where: short stacking energy: -7.596 Base-Backbone interact. energy: -0.021 local terms energy: -25.734673 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -5.813 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: 4, replica: 6 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -33.348386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.348386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.348386 (E_RNA) where: Base-Base interactions energy: -7.592 where: short stacking energy: -7.592 Base-Backbone interact. energy: 0.828 local terms energy: -26.584828 where: bonds (distance) C4'-P energy: -5.546 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -1.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -33.116068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.116068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.116068 (E_RNA) where: Base-Base interactions energy: -9.925 where: short stacking energy: -9.925 Base-Backbone interact. energy: -0.188 local terms energy: -23.003035 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -4.321 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: 6, replica: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -42.778946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.778946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.778946 (E_RNA) where: Base-Base interactions energy: -15.848 where: short stacking energy: -15.848 Base-Backbone interact. energy: -0.000 local terms energy: -26.930857 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -4.780 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: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -31.170162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.170162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.170162 (E_RNA) where: Base-Base interactions energy: -7.030 where: short stacking energy: -7.030 Base-Backbone interact. energy: -0.156 local terms energy: -23.984438 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -2.966 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: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -29.424377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.424377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.424377 (E_RNA) where: Base-Base interactions energy: -8.361 where: short stacking energy: -8.361 Base-Backbone interact. energy: -0.176 local terms energy: -20.886556 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: 0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -29.191504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.191504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.191504 (E_RNA) where: Base-Base interactions energy: -6.694 where: short stacking energy: -6.694 Base-Backbone interact. energy: -0.001 local terms energy: -22.495897 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -4.808 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: 10, replica: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -28.411002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.411002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.411002 (E_RNA) where: Base-Base interactions energy: -5.441 where: short stacking energy: -5.057 Base-Backbone interact. energy: -0.092 local terms energy: -22.878111 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.602 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: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -39.100044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.100044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.100044 (E_RNA) where: Base-Base interactions energy: -12.764 where: short stacking energy: -12.764 Base-Backbone interact. energy: -0.001 local terms energy: -26.334920 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -4.183 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: 2, replica: 8 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -42.981843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.981843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.981843 (E_RNA) where: Base-Base interactions energy: -14.879 where: short stacking energy: -14.879 Base-Backbone interact. energy: -0.041 local terms energy: -28.062395 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -4.422 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: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -37.141772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.141772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.141772 (E_RNA) where: Base-Base interactions energy: -11.455 where: short stacking energy: -11.555 Base-Backbone interact. energy: -0.088 local terms energy: -25.598881 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -36.646618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.646618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.646618 (E_RNA) where: Base-Base interactions energy: -12.538 where: short stacking energy: -12.538 Base-Backbone interact. energy: -0.000 local terms energy: -24.108181 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -4.643 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: 5, replica: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -32.014360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.014360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.014360 (E_RNA) where: Base-Base interactions energy: -8.266 where: short stacking energy: -8.642 Base-Backbone interact. energy: -0.028 local terms energy: -23.720556 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -4.486 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: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -36.238605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.238605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.238605 (E_RNA) where: Base-Base interactions energy: -7.893 where: short stacking energy: -7.893 Base-Backbone interact. energy: -0.000 local terms energy: -28.345251 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -4.491 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: 7, replica: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -30.268537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.268537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.268537 (E_RNA) where: Base-Base interactions energy: -7.618 where: short stacking energy: -7.618 Base-Backbone interact. energy: -0.005 local terms energy: -22.645777 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -4.182 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: 8, replica: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -26.277639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.277639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.277639 (E_RNA) where: Base-Base interactions energy: -6.745 where: short stacking energy: -2.218 Base-Backbone interact. energy: -0.018 local terms energy: -19.514513 where: bonds (distance) C4'-P energy: -5.268 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: 1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -29.716590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.716590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.716590 (E_RNA) where: Base-Base interactions energy: -6.864 where: short stacking energy: -6.864 Base-Backbone interact. energy: -0.048 local terms energy: -22.804341 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -4.589 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: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -28.902386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.902386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.902386 (E_RNA) where: Base-Base interactions energy: -6.941 where: short stacking energy: -6.941 Base-Backbone interact. energy: -0.021 local terms energy: -21.940862 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: 1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -38.640454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.640454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.640454 (E_RNA) where: Base-Base interactions energy: -10.517 where: short stacking energy: -10.668 Base-Backbone interact. energy: -0.000 local terms energy: -28.122664 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -43.339189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.339189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.339189 (E_RNA) where: Base-Base interactions energy: -15.052 where: short stacking energy: -15.052 Base-Backbone interact. energy: -0.100 local terms energy: -28.186997 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -4.487 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: 3, replica: 10 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -37.002721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.002721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.002721 (E_RNA) where: Base-Base interactions energy: -11.004 where: short stacking energy: -11.004 Base-Backbone interact. energy: -0.000 local terms energy: -25.998283 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -39.073622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.073622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.073622 (E_RNA) where: Base-Base interactions energy: -10.563 where: short stacking energy: -10.563 Base-Backbone interact. energy: -0.000 local terms energy: -28.510117 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.494 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -4.316 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: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -32.594269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594269 (E_RNA) where: Base-Base interactions energy: -6.135 where: short stacking energy: -6.135 Base-Backbone interact. energy: -0.002 local terms energy: -26.457007 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -3.619 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: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -33.859611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.859611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.859611 (E_RNA) where: Base-Base interactions energy: -7.136 where: short stacking energy: -7.136 Base-Backbone interact. energy: -0.199 local terms energy: -26.524201 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -0.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -27.867456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.867456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.867456 (E_RNA) where: Base-Base interactions energy: -6.364 where: short stacking energy: -6.364 Base-Backbone interact. energy: -0.010 local terms energy: -21.493801 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -2.494 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: 8, replica: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -32.229239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.229239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.229239 (E_RNA) where: Base-Base interactions energy: -8.130 where: short stacking energy: -7.708 Base-Backbone interact. energy: -0.633 local terms energy: -23.466776 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -2.139 flat angles P-C4'-P energy: -4.619 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: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -28.539576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.539576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.539576 (E_RNA) where: Base-Base interactions energy: -7.496 where: short stacking energy: -7.496 Base-Backbone interact. energy: -0.030 local terms energy: -21.013994 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: 1.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -33.483491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.483491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.483491 (E_RNA) where: Base-Base interactions energy: -9.680 where: short stacking energy: -9.680 Base-Backbone interact. energy: -0.101 local terms energy: -23.702127 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.370 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -3.876 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: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -40.674547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.674547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.674547 (E_RNA) where: Base-Base interactions energy: -9.760 where: short stacking energy: -9.760 Base-Backbone interact. energy: -0.000 local terms energy: -30.914824 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -6.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -38.860390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.860390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.860390 (E_RNA) where: Base-Base interactions energy: -11.360 where: short stacking energy: -11.360 Base-Backbone interact. energy: -1.017 local terms energy: -26.483645 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -3.786 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: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -41.980249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.980249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.980249 (E_RNA) where: Base-Base interactions energy: -11.359 where: short stacking energy: -11.359 Base-Backbone interact. energy: -0.000 local terms energy: -30.621678 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -39.275068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.275068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.275068 (E_RNA) where: Base-Base interactions energy: -10.991 where: short stacking energy: -10.991 Base-Backbone interact. energy: -0.001 local terms energy: -28.283234 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -32.257719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.257719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.257719 (E_RNA) where: Base-Base interactions energy: -6.248 where: short stacking energy: -6.248 Base-Backbone interact. energy: -0.051 local terms energy: -25.958224 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -4.926 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: 393 Temperature: 1.150000 Total energy: -31.744958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.744958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.744958 (E_RNA) where: Base-Base interactions energy: -10.804 where: short stacking energy: -10.399 Base-Backbone interact. energy: -0.008 local terms energy: -20.933180 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -4.986 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -3.951 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: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -34.524361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.524361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.524361 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.083 local terms energy: -22.150387 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -3.637 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: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -27.942336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.942336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.942336 (E_RNA) where: Base-Base interactions energy: -1.450 where: short stacking energy: -0.852 Base-Backbone interact. energy: -0.098 local terms energy: -26.394407 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -4.001 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: 9, replica: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -27.502182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.502182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.502182 (E_RNA) where: Base-Base interactions energy: -7.787 where: short stacking energy: -7.787 Base-Backbone interact. energy: -0.037 local terms energy: -19.677935 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: 2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -28.169743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.169743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.169743 (E_RNA) where: Base-Base interactions energy: -8.824 where: short stacking energy: -8.883 Base-Backbone interact. energy: 1.359 local terms energy: -20.705407 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.442 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -41.102102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.102102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.102102 (E_RNA) where: Base-Base interactions energy: -12.397 where: short stacking energy: -12.397 Base-Backbone interact. energy: -0.000 local terms energy: -28.704982 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -5.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -37.482853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.482853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.482853 (E_RNA) where: Base-Base interactions energy: -10.174 where: short stacking energy: -10.174 Base-Backbone interact. energy: -0.102 local terms energy: -27.207399 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -3.792 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: 3, replica: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -39.020671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.020671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.020671 (E_RNA) where: Base-Base interactions energy: -10.159 where: short stacking energy: -10.159 Base-Backbone interact. energy: -0.009 local terms energy: -28.852618 where: bonds (distance) C4'-P energy: -7.541 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -5.526 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: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -36.467277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.467277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.467277 (E_RNA) where: Base-Base interactions energy: -9.784 where: short stacking energy: -9.784 Base-Backbone interact. energy: -0.003 local terms energy: -26.680597 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -33.315389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.315389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.315389 (E_RNA) where: Base-Base interactions energy: -9.629 where: short stacking energy: -9.629 Base-Backbone interact. energy: -0.073 local terms energy: -23.613451 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -4.272 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: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -36.195202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.195202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.195202 (E_RNA) where: Base-Base interactions energy: -10.354 where: short stacking energy: -10.354 Base-Backbone interact. energy: 0.228 local terms energy: -26.069768 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -5.655 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: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -36.508787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.508787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.508787 (E_RNA) where: Base-Base interactions energy: -10.539 where: short stacking energy: -10.539 Base-Backbone interact. energy: -0.000 local terms energy: -25.970079 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -2.363 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: 6 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -30.718477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.718477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.718477 (E_RNA) where: Base-Base interactions energy: -7.467 where: short stacking energy: -7.467 Base-Backbone interact. energy: -0.005 local terms energy: -23.246794 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -29.635945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.635945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.635945 (E_RNA) where: Base-Base interactions energy: -7.877 where: short stacking energy: -7.877 Base-Backbone interact. energy: -0.015 local terms energy: -21.744151 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -4.303 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: 2 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -30.833869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.833869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.833869 (E_RNA) where: Base-Base interactions energy: -6.236 where: short stacking energy: -6.236 Base-Backbone interact. energy: -0.006 local terms energy: -24.591308 where: bonds (distance) C4'-P energy: -5.231 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -37.611605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.611605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.611605 (E_RNA) where: Base-Base interactions energy: -12.565 where: short stacking energy: -12.565 Base-Backbone interact. energy: -0.108 local terms energy: -24.939111 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.965 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: 2, replica: 4 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -38.018801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.018801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.018801 (E_RNA) where: Base-Base interactions energy: -13.145 where: short stacking energy: -13.145 Base-Backbone interact. energy: -0.092 local terms energy: -24.781916 where: bonds (distance) C4'-P energy: -4.085 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -4.670 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: 3, replica: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -35.449172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.449172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.449172 (E_RNA) where: Base-Base interactions energy: -7.050 where: short stacking energy: -7.050 Base-Backbone interact. energy: -0.061 local terms energy: -28.338275 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -5.651 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: 3 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -33.421852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.421852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.421852 (E_RNA) where: Base-Base interactions energy: -10.510 where: short stacking energy: -7.201 Base-Backbone interact. energy: -0.138 local terms energy: -22.773132 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -4.473 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: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -33.367780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.367780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.367780 (E_RNA) where: Base-Base interactions energy: -10.843 where: short stacking energy: -10.843 Base-Backbone interact. energy: -0.024 local terms energy: -22.500523 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -1.571 tors. eta vs tors. theta energy: -4.569 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: 6, replica: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -30.602352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.602352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.602352 (E_RNA) where: Base-Base interactions energy: -9.952 where: short stacking energy: -7.454 Base-Backbone interact. energy: -0.020 local terms energy: -20.630912 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -3.051 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: 7, replica: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -35.798685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.798685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.798685 (E_RNA) where: Base-Base interactions energy: -8.226 where: short stacking energy: -8.226 Base-Backbone interact. energy: -0.085 local terms energy: -27.487632 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -5.010 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: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -28.944358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.944358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.944358 (E_RNA) where: Base-Base interactions energy: -6.979 where: short stacking energy: -6.979 Base-Backbone interact. energy: 0.196 local terms energy: -22.161182 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -2.818 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -29.204694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.204694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.204694 (E_RNA) where: Base-Base interactions energy: -6.265 where: short stacking energy: -6.265 Base-Backbone interact. energy: 0.192 local terms energy: -23.131671 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -1.472 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: 10, replica: 2 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -31.006020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.006020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.006020 (E_RNA) where: Base-Base interactions energy: -10.181 where: short stacking energy: -10.181 Base-Backbone interact. energy: -0.035 local terms energy: -20.789910 where: bonds (distance) C4'-P energy: -3.381 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -2.415 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -36.742539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.742539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.742539 (E_RNA) where: Base-Base interactions energy: -8.726 where: short stacking energy: -8.726 Base-Backbone interact. energy: -0.001 local terms energy: -28.016131 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -4.873 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: 2, replica: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -36.720580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.720580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.720580 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.027 local terms energy: -25.429578 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -34.776706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.776706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.776706 (E_RNA) where: Base-Base interactions energy: -10.083 where: short stacking energy: -10.083 Base-Backbone interact. energy: -0.033 local terms energy: -24.660605 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -3.266 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: 4, replica: 3 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -30.217243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.217243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.217243 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -4.542 Base-Backbone interact. energy: -1.152 local terms energy: -21.854071 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -2.743 tors. eta vs tors. theta energy: 0.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -37.509628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.509628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.509628 (E_RNA) where: Base-Base interactions energy: -10.590 where: short stacking energy: -10.590 Base-Backbone interact. energy: -0.049 local terms energy: -26.870882 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -28.495842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.495842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.495842 (E_RNA) where: Base-Base interactions energy: -8.249 where: short stacking energy: -6.434 Base-Backbone interact. energy: -0.101 local terms energy: -20.146245 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -2.681 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: 0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -30.146329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.146329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.146329 (E_RNA) where: Base-Base interactions energy: -9.314 where: short stacking energy: -9.314 Base-Backbone interact. energy: -0.001 local terms energy: -20.832017 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.999 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: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -28.436189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.436189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.436189 (E_RNA) where: Base-Base interactions energy: -7.293 where: short stacking energy: -7.293 Base-Backbone interact. energy: -0.050 local terms energy: -21.092971 where: bonds (distance) C4'-P energy: -4.758 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: 3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -30.844246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.844246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.844246 (E_RNA) where: Base-Base interactions energy: -6.484 where: short stacking energy: -6.484 Base-Backbone interact. energy: -0.038 local terms energy: -24.322532 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -2.354 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -28.129296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.129296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.129296 (E_RNA) where: Base-Base interactions energy: -7.367 where: short stacking energy: -7.367 Base-Backbone interact. energy: -0.000 local terms energy: -20.762457 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -43.332055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.332055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.332055 (E_RNA) where: Base-Base interactions energy: -15.057 where: short stacking energy: -15.057 Base-Backbone interact. energy: -0.000 local terms energy: -28.275220 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -5.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -36.185023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.185023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.185023 (E_RNA) where: Base-Base interactions energy: -11.028 where: short stacking energy: -11.028 Base-Backbone interact. energy: -0.001 local terms energy: -25.156040 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -3.529 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: 5 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -37.919435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.919435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.919435 (E_RNA) where: Base-Base interactions energy: -9.522 where: short stacking energy: -9.522 Base-Backbone interact. energy: -0.000 local terms energy: -28.396598 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.162 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: 4, replica: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -32.905714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.905714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.905714 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.005 local terms energy: -23.993431 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -2.844 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: 5, replica: 3 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -33.705485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.705485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.705485 (E_RNA) where: Base-Base interactions energy: -10.438 where: short stacking energy: -10.438 Base-Backbone interact. energy: -0.013 local terms energy: -23.254544 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -5.050 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: 6, replica: 10 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -27.909237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.909237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.909237 (E_RNA) where: Base-Base interactions energy: -6.578 where: short stacking energy: -6.578 Base-Backbone interact. energy: -0.000 local terms energy: -21.330399 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -4.121 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -0.523 tors. eta vs tors. theta energy: -3.402 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: 397 Temperature: 1.200000 Total energy: -29.055845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.055845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.055845 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: -0.054 local terms energy: -20.648805 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -3.742 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: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -29.991953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.991953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.991953 (E_RNA) where: Base-Base interactions energy: -9.188 where: short stacking energy: -9.188 Base-Backbone interact. energy: -0.097 local terms energy: -20.706456 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -1.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -27.893685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.893685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.893685 (E_RNA) where: Base-Base interactions energy: -4.001 where: short stacking energy: -4.001 Base-Backbone interact. energy: -0.009 local terms energy: -23.883526 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -3.024 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: 10, replica: 6 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -27.227668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.227668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.227668 (E_RNA) where: Base-Base interactions energy: -3.940 where: short stacking energy: -3.940 Base-Backbone interact. energy: -0.112 local terms energy: -23.176086 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -3.065 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: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -38.937963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.937963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.937963 (E_RNA) where: Base-Base interactions energy: -11.400 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.004 local terms energy: -27.533550 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -4.484 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: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -38.554974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.554974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.554974 (E_RNA) where: Base-Base interactions energy: -14.153 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.003 local terms energy: -24.399334 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -4.396 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: 3, replica: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -35.091818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.091818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.091818 (E_RNA) where: Base-Base interactions energy: -7.951 where: short stacking energy: -7.951 Base-Backbone interact. energy: -0.017 local terms energy: -27.123024 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -36.896282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.896282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.896282 (E_RNA) where: Base-Base interactions energy: -10.450 where: short stacking energy: -10.450 Base-Backbone interact. energy: -0.008 local terms energy: -26.439070 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -4.612 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: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -33.893836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.893836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.893836 (E_RNA) where: Base-Base interactions energy: -11.260 where: short stacking energy: -11.260 Base-Backbone interact. energy: -0.001 local terms energy: -22.633223 where: bonds (distance) C4'-P energy: -5.263 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -5.331 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: 6, replica: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -28.213400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.213400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.213400 (E_RNA) where: Base-Base interactions energy: -4.293 where: short stacking energy: -4.293 Base-Backbone interact. energy: -0.059 local terms energy: -23.860910 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: 0.426 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: 7, replica: 7 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -26.872643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.872643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.872643 (E_RNA) where: Base-Base interactions energy: -6.978 where: short stacking energy: -6.978 Base-Backbone interact. energy: -0.070 local terms energy: -19.824691 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -3.578 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: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -29.467184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.467184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.467184 (E_RNA) where: Base-Base interactions energy: -10.343 where: short stacking energy: -10.343 Base-Backbone interact. energy: -0.007 local terms energy: -19.117355 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -1.025 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: 9, replica: 6 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -30.405528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.405528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.405528 (E_RNA) where: Base-Base interactions energy: -6.091 where: short stacking energy: -6.091 Base-Backbone interact. energy: -1.217 local terms energy: -23.097237 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.449 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: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -26.820717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.820717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.820717 (E_RNA) where: Base-Base interactions energy: -8.336 where: short stacking energy: -8.336 Base-Backbone interact. energy: -0.096 local terms energy: -18.388244 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -2.290 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: 1, replica: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -38.510641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.510641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.510641 (E_RNA) where: Base-Base interactions energy: -13.080 where: short stacking energy: -12.460 Base-Backbone interact. energy: 0.257 local terms energy: -25.687542 where: bonds (distance) C4'-P energy: -5.627 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -4.315 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: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -36.157653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.157653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.157653 (E_RNA) where: Base-Base interactions energy: -11.727 where: short stacking energy: -11.727 Base-Backbone interact. energy: -0.064 local terms energy: -24.366277 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -36.054039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.054039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.054039 (E_RNA) where: Base-Base interactions energy: -9.928 where: short stacking energy: -9.928 Base-Backbone interact. energy: -0.001 local terms energy: -26.124962 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -4.022 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: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -36.793531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.793531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.793531 (E_RNA) where: Base-Base interactions energy: -11.218 where: short stacking energy: -11.218 Base-Backbone interact. energy: -0.001 local terms energy: -25.574740 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -6.025 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: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -34.355512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.355512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.355512 (E_RNA) where: Base-Base interactions energy: -9.764 where: short stacking energy: -9.764 Base-Backbone interact. energy: -0.009 local terms energy: -24.582745 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -36.903080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.903080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.903080 (E_RNA) where: Base-Base interactions energy: -8.232 where: short stacking energy: -8.232 Base-Backbone interact. energy: -0.040 local terms energy: -28.630798 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -32.072257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.072257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.072257 (E_RNA) where: Base-Base interactions energy: -6.217 where: short stacking energy: -6.217 Base-Backbone interact. energy: -0.014 local terms energy: -25.841350 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -3.127 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: 8, replica: 6 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -28.821403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.821403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.821403 (E_RNA) where: Base-Base interactions energy: -5.626 where: short stacking energy: -5.626 Base-Backbone interact. energy: -0.187 local terms energy: -23.008308 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -5.430 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: 9, replica: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -29.893548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.893548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.893548 (E_RNA) where: Base-Base interactions energy: -9.118 where: short stacking energy: -9.118 Base-Backbone interact. energy: -0.060 local terms energy: -20.715296 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -2.266 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: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -26.190903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.190903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.190903 (E_RNA) where: Base-Base interactions energy: -4.901 where: short stacking energy: -4.901 Base-Backbone interact. energy: -0.002 local terms energy: -21.288562 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -2.784 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -3.077 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: 1, replica: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -34.044994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.044994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.044994 (E_RNA) where: Base-Base interactions energy: -7.442 where: short stacking energy: -7.442 Base-Backbone interact. energy: -0.001 local terms energy: -26.601988 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.955 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: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -35.654121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.654121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.654121 (E_RNA) where: Base-Base interactions energy: -10.727 where: short stacking energy: -10.727 Base-Backbone interact. energy: -1.097 local terms energy: -23.829677 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -5.965 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: 3, replica: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -37.292868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.292868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.292868 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -7.108 Base-Backbone interact. energy: -0.010 local terms energy: -28.580116 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -3.623 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: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -35.199861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.199861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.199861 (E_RNA) where: Base-Base interactions energy: -8.480 where: short stacking energy: -8.480 Base-Backbone interact. energy: -0.012 local terms energy: -26.707209 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -32.916676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.916676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.916676 (E_RNA) where: Base-Base interactions energy: -5.485 where: short stacking energy: -5.485 Base-Backbone interact. energy: -0.000 local terms energy: -27.431659 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -6.070 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: 6, replica: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -32.430001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.430001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.430001 (E_RNA) where: Base-Base interactions energy: -12.005 where: short stacking energy: -12.005 Base-Backbone interact. energy: -0.202 local terms energy: -20.223699 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: 1.563 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: 400 Temperature: 1.200000 Total energy: -33.770943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.770943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.770943 (E_RNA) where: Base-Base interactions energy: -10.900 where: short stacking energy: -9.535 Base-Backbone interact. energy: -0.090 local terms energy: -22.781511 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -4.246 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: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -31.906095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.906095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.906095 (E_RNA) where: Base-Base interactions energy: -8.382 where: short stacking energy: -8.382 Base-Backbone interact. energy: -0.052 local terms energy: -23.471689 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -2.107 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: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -33.769886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.769886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.769886 (E_RNA) where: Base-Base interactions energy: -7.963 where: short stacking energy: -7.963 Base-Backbone interact. energy: -0.000 local terms energy: -25.806965 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -3.116 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: 2 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -26.428386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.428386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.428386 (E_RNA) where: Base-Base interactions energy: -3.784 where: short stacking energy: -3.784 Base-Backbone interact. energy: -0.000 local terms energy: -22.644606 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -4.744 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: 1, replica: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -39.295779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.295779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.295779 (E_RNA) where: Base-Base interactions energy: -11.853 where: short stacking energy: -10.358 Base-Backbone interact. energy: -0.001 local terms energy: -27.442293 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -41.896864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.896864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.896864 (E_RNA) where: Base-Base interactions energy: -13.299 where: short stacking energy: -13.299 Base-Backbone interact. energy: -0.001 local terms energy: -28.597075 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -4.656 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: 8 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -35.083832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.083832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.083832 (E_RNA) where: Base-Base interactions energy: -8.377 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.061 local terms energy: -26.645107 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -36.871057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.871057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.871057 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.000 local terms energy: -23.821605 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -37.006422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.006422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.006422 (E_RNA) where: Base-Base interactions energy: -11.622 where: short stacking energy: -11.622 Base-Backbone interact. energy: -0.006 local terms energy: -25.378573 where: bonds (distance) C4'-P energy: -5.364 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -3.771 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: 6, replica: 6 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -41.479786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.479786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.479786 (E_RNA) where: Base-Base interactions energy: -12.524 where: short stacking energy: -12.524 Base-Backbone interact. energy: -0.000 local terms energy: -28.955618 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -30.076327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.076327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.076327 (E_RNA) where: Base-Base interactions energy: -11.063 where: short stacking energy: -11.063 Base-Backbone interact. energy: -0.002 local terms energy: -19.011905 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -34.356699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.356699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.356699 (E_RNA) where: Base-Base interactions energy: -8.894 where: short stacking energy: -8.894 Base-Backbone interact. energy: -0.000 local terms energy: -25.462836 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -4.636 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: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -24.469872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.469872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.469872 (E_RNA) where: Base-Base interactions energy: -1.343 where: short stacking energy: -1.343 Base-Backbone interact. energy: 0.537 local terms energy: -23.663245 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -2.922 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: 10, replica: 2 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -28.028628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.028628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.028628 (E_RNA) where: Base-Base interactions energy: -9.411 where: short stacking energy: -9.411 Base-Backbone interact. energy: -0.003 local terms energy: -18.615493 where: bonds (distance) C4'-P energy: -5.815 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -1.175 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: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -41.255280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.255280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.255280 (E_RNA) where: Base-Base interactions energy: -11.855 where: short stacking energy: -11.855 Base-Backbone interact. energy: -0.000 local terms energy: -29.400213 where: bonds (distance) C4'-P energy: -5.790 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -5.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -39.508528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.508528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.508528 (E_RNA) where: Base-Base interactions energy: -9.895 where: short stacking energy: -9.895 Base-Backbone interact. energy: -0.056 local terms energy: -29.557055 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -5.101 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: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -35.304769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.304769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.304769 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -10.008 Base-Backbone interact. energy: -0.003 local terms energy: -25.294442 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -3.979 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: 4, replica: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -33.803449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.803449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.803449 (E_RNA) where: Base-Base interactions energy: -11.019 where: short stacking energy: -11.019 Base-Backbone interact. energy: -0.000 local terms energy: -22.784002 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -36.747694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.747694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.747694 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.024 local terms energy: -25.707201 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -2.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -28.625283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.625283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.625283 (E_RNA) where: Base-Base interactions energy: -6.537 where: short stacking energy: -6.537 Base-Backbone interact. energy: -0.003 local terms energy: -22.085785 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -4.393 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -33.829382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.829382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.829382 (E_RNA) where: Base-Base interactions energy: -7.241 where: short stacking energy: -7.241 Base-Backbone interact. energy: -0.000 local terms energy: -26.587790 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -3.841 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: 8, replica: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -31.551689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.551689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.551689 (E_RNA) where: Base-Base interactions energy: -6.943 where: short stacking energy: -6.943 Base-Backbone interact. energy: -0.003 local terms energy: -24.606102 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -3.268 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: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -28.716373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.716373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.716373 (E_RNA) where: Base-Base interactions energy: -3.527 where: short stacking energy: -3.662 Base-Backbone interact. energy: -0.099 local terms energy: -25.089961 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -27.315663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.315663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.315663 (E_RNA) where: Base-Base interactions energy: -4.620 where: short stacking energy: -3.598 Base-Backbone interact. energy: -0.041 local terms energy: -22.654578 where: bonds (distance) C4'-P energy: -4.184 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -36.831529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.831529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.831529 (E_RNA) where: Base-Base interactions energy: -10.169 where: short stacking energy: -10.169 Base-Backbone interact. energy: -0.005 local terms energy: -26.657491 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -4.803 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: 2, replica: 10 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -43.849382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.849382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.849382 (E_RNA) where: Base-Base interactions energy: -14.570 where: short stacking energy: -14.570 Base-Backbone interact. energy: -0.073 local terms energy: -29.206662 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -33.439675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.439675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.439675 (E_RNA) where: Base-Base interactions energy: -8.790 where: short stacking energy: -8.790 Base-Backbone interact. energy: -0.007 local terms energy: -24.642552 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -3.889 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: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -35.423322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.423322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.423322 (E_RNA) where: Base-Base interactions energy: -10.206 where: short stacking energy: -10.206 Base-Backbone interact. energy: -0.110 local terms energy: -25.107120 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -4.439 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -31.253907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.253907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.253907 (E_RNA) where: Base-Base interactions energy: -7.043 where: short stacking energy: -7.043 Base-Backbone interact. energy: -0.052 local terms energy: -24.158738 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -2.936 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: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -30.335580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.335580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.335580 (E_RNA) where: Base-Base interactions energy: -10.300 where: short stacking energy: -10.300 Base-Backbone interact. energy: -0.000 local terms energy: -20.035790 where: bonds (distance) C4'-P energy: -2.350 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -30.123340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.123340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.123340 (E_RNA) where: Base-Base interactions energy: -6.182 where: short stacking energy: -6.182 Base-Backbone interact. energy: -0.002 local terms energy: -23.939861 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -3.239 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: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -27.250560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.250560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.250560 (E_RNA) where: Base-Base interactions energy: -7.438 where: short stacking energy: -7.438 Base-Backbone interact. energy: 0.642 local terms energy: -20.455297 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.247 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: 9, replica: 3 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -32.319461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.319461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.319461 (E_RNA) where: Base-Base interactions energy: -5.228 where: short stacking energy: -5.228 Base-Backbone interact. energy: -0.000 local terms energy: -27.091675 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -27.690615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.690615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.690615 (E_RNA) where: Base-Base interactions energy: -7.041 where: short stacking energy: -7.041 Base-Backbone interact. energy: -0.001 local terms energy: -20.648015 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -2.698 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: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -39.331763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.331763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.331763 (E_RNA) where: Base-Base interactions energy: -11.344 where: short stacking energy: -11.344 Base-Backbone interact. energy: -0.021 local terms energy: -27.967083 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.742 flat angles P-C4'-P energy: -4.782 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: 2, replica: 4 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -38.169206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.169206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.169206 (E_RNA) where: Base-Base interactions energy: -10.502 where: short stacking energy: -10.502 Base-Backbone interact. energy: -0.000 local terms energy: -27.666680 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -5.051 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: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -40.226024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.226024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.226024 (E_RNA) where: Base-Base interactions energy: -15.320 where: short stacking energy: -15.320 Base-Backbone interact. energy: -0.000 local terms energy: -24.906128 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -4.456 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: 4, replica: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -34.325591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.325591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.325591 (E_RNA) where: Base-Base interactions energy: -9.364 where: short stacking energy: -9.364 Base-Backbone interact. energy: -0.001 local terms energy: -24.960283 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -30.014596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.014596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.014596 (E_RNA) where: Base-Base interactions energy: -6.826 where: short stacking energy: -6.826 Base-Backbone interact. energy: -0.000 local terms energy: -23.188096 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -4.501 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: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -37.855345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.855345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.855345 (E_RNA) where: Base-Base interactions energy: -12.283 where: short stacking energy: -12.283 Base-Backbone interact. energy: -0.001 local terms energy: -25.571834 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -4.258 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: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -30.603494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.603494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.603494 (E_RNA) where: Base-Base interactions energy: -9.056 where: short stacking energy: -9.056 Base-Backbone interact. energy: -0.093 local terms energy: -21.453808 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -28.963048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.963048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.963048 (E_RNA) where: Base-Base interactions energy: -9.227 where: short stacking energy: -3.994 Base-Backbone interact. energy: -0.061 local terms energy: -19.675189 where: bonds (distance) C4'-P energy: -4.010 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.063 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: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -29.196462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.196462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.196462 (E_RNA) where: Base-Base interactions energy: -4.392 where: short stacking energy: -4.392 Base-Backbone interact. energy: -0.146 local terms energy: -24.658966 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -5.145 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: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -32.855185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.855185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.855185 (E_RNA) where: Base-Base interactions energy: -7.377 where: short stacking energy: -7.377 Base-Backbone interact. energy: -0.103 local terms energy: -25.374796 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -3.500 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: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -41.513767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.513767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.513767 (E_RNA) where: Base-Base interactions energy: -15.389 where: short stacking energy: -15.389 Base-Backbone interact. energy: -0.020 local terms energy: -26.104577 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -3.840 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: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -39.034930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.034930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.034930 (E_RNA) where: Base-Base interactions energy: -10.208 where: short stacking energy: -10.208 Base-Backbone interact. energy: -0.000 local terms energy: -28.827231 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -37.395790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.395790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.395790 (E_RNA) where: Base-Base interactions energy: -12.316 where: short stacking energy: -10.769 Base-Backbone interact. energy: -0.055 local terms energy: -25.024217 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -4.972 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: 4, replica: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -35.710488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.710488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.710488 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -10.679 Base-Backbone interact. energy: -0.022 local terms energy: -25.009483 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -31.869156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.869156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.869156 (E_RNA) where: Base-Base interactions energy: -4.840 where: short stacking energy: -4.840 Base-Backbone interact. energy: 0.391 local terms energy: -27.420182 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -31.802798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.802798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.802798 (E_RNA) where: Base-Base interactions energy: -10.121 where: short stacking energy: -8.379 Base-Backbone interact. energy: -0.217 local terms energy: -21.465225 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -4.090 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: 7, replica: 8 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -41.461849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.461849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.461849 (E_RNA) where: Base-Base interactions energy: -16.069 where: short stacking energy: -16.069 Base-Backbone interact. energy: -0.000 local terms energy: -25.393096 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -4.380 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -4.930 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: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -29.126294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.126294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.126294 (E_RNA) where: Base-Base interactions energy: -4.814 where: short stacking energy: -4.545 Base-Backbone interact. energy: -0.107 local terms energy: -24.205669 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: 1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -37.431634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.431634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.431634 (E_RNA) where: Base-Base interactions energy: -14.646 where: short stacking energy: -12.454 Base-Backbone interact. energy: -0.012 local terms energy: -22.773578 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -1.135 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: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -32.534866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.534866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.534866 (E_RNA) where: Base-Base interactions energy: -7.967 where: short stacking energy: -7.967 Base-Backbone interact. energy: -0.001 local terms energy: -24.567616 where: bonds (distance) C4'-P energy: -4.436 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -0.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -41.810882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.810882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.810882 (E_RNA) where: Base-Base interactions energy: -14.434 where: short stacking energy: -14.434 Base-Backbone interact. energy: -0.014 local terms energy: -27.362824 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -35.171006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.171006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.171006 (E_RNA) where: Base-Base interactions energy: -9.618 where: short stacking energy: -9.618 Base-Backbone interact. energy: -0.100 local terms energy: -25.453119 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.901 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: 4 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -39.111742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.111742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.111742 (E_RNA) where: Base-Base interactions energy: -12.393 where: short stacking energy: -12.393 Base-Backbone interact. energy: -0.000 local terms energy: -26.718618 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -0.977 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: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -37.314754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.314754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.314754 (E_RNA) where: Base-Base interactions energy: -11.144 where: short stacking energy: -11.144 Base-Backbone interact. energy: -0.004 local terms energy: -26.166470 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -4.115 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: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -34.177601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.177601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.177601 (E_RNA) where: Base-Base interactions energy: -9.703 where: short stacking energy: -9.703 Base-Backbone interact. energy: -0.016 local terms energy: -24.458738 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -3.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -33.550442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.550442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.550442 (E_RNA) where: Base-Base interactions energy: -7.073 where: short stacking energy: -7.073 Base-Backbone interact. energy: -0.041 local terms energy: -26.436347 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -4.806 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: 7, replica: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -31.796626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.796626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.796626 (E_RNA) where: Base-Base interactions energy: -8.378 where: short stacking energy: -8.378 Base-Backbone interact. energy: -0.092 local terms energy: -23.326658 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -3.647 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -30.479409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.479409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.479409 (E_RNA) where: Base-Base interactions energy: -6.974 where: short stacking energy: -6.974 Base-Backbone interact. energy: -0.167 local terms energy: -23.338324 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -2.099 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: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -34.251592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.251592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.251592 (E_RNA) where: Base-Base interactions energy: -12.645 where: short stacking energy: -12.645 Base-Backbone interact. energy: 0.494 local terms energy: -22.100121 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -4.444 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: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -31.254342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.254342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.254342 (E_RNA) where: Base-Base interactions energy: -8.880 where: short stacking energy: -8.880 Base-Backbone interact. energy: -0.000 local terms energy: -22.374118 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -6.783 flat angles C4'-P-C4' energy: -2.308 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -4.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -43.358670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.358670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.358670 (E_RNA) where: Base-Base interactions energy: -14.706 where: short stacking energy: -14.496 Base-Backbone interact. energy: -0.098 local terms energy: -28.554311 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -40.811207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.811207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.811207 (E_RNA) where: Base-Base interactions energy: -15.041 where: short stacking energy: -15.041 Base-Backbone interact. energy: -0.000 local terms energy: -25.770273 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -40.048447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.048447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.048447 (E_RNA) where: Base-Base interactions energy: -13.301 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.084 local terms energy: -26.662735 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -37.184705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.184705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.184705 (E_RNA) where: Base-Base interactions energy: -12.765 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.078 local terms energy: -24.341667 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -2.905 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: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -33.572770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.572770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.572770 (E_RNA) where: Base-Base interactions energy: -10.876 where: short stacking energy: -10.437 Base-Backbone interact. energy: -0.144 local terms energy: -22.552078 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -3.254 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: 3 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -31.519631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.519631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.519631 (E_RNA) where: Base-Base interactions energy: -7.808 where: short stacking energy: -7.808 Base-Backbone interact. energy: -0.145 local terms energy: -23.566681 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: 1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -35.837838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.837838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.837838 (E_RNA) where: Base-Base interactions energy: -9.590 where: short stacking energy: -9.590 Base-Backbone interact. energy: -0.006 local terms energy: -26.241422 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -1.214 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -28.474125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.474125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.474125 (E_RNA) where: Base-Base interactions energy: -5.530 where: short stacking energy: -5.530 Base-Backbone interact. energy: -0.048 local terms energy: -22.896080 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -30.634087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.634087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.634087 (E_RNA) where: Base-Base interactions energy: -4.242 where: short stacking energy: -4.242 Base-Backbone interact. energy: -0.132 local terms energy: -26.259806 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -4.974 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: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -29.657465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.657465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.657465 (E_RNA) where: Base-Base interactions energy: -7.168 where: short stacking energy: -7.168 Base-Backbone interact. energy: -0.000 local terms energy: -22.489247 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -4.085 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: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -42.368726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.368726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.368726 (E_RNA) where: Base-Base interactions energy: -14.949 where: short stacking energy: -14.949 Base-Backbone interact. energy: -0.000 local terms energy: -27.420024 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -42.572532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.572532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.572532 (E_RNA) where: Base-Base interactions energy: -13.921 where: short stacking energy: -13.921 Base-Backbone interact. energy: -0.000 local terms energy: -28.651588 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -4.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -38.597665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.597665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.597665 (E_RNA) where: Base-Base interactions energy: -14.022 where: short stacking energy: -14.022 Base-Backbone interact. energy: -0.004 local terms energy: -24.572083 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -33.539408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.539408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.539408 (E_RNA) where: Base-Base interactions energy: -7.239 where: short stacking energy: -7.239 Base-Backbone interact. energy: -0.002 local terms energy: -26.299206 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -2.010 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -32.984267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.984267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.984267 (E_RNA) where: Base-Base interactions energy: -9.661 where: short stacking energy: -9.056 Base-Backbone interact. energy: -0.122 local terms energy: -23.200974 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -31.518470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518470 (E_RNA) where: Base-Base interactions energy: -9.984 where: short stacking energy: -9.984 Base-Backbone interact. energy: -0.133 local terms energy: -21.401832 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -1.045 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: 7, replica: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -28.152933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.152933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.152933 (E_RNA) where: Base-Base interactions energy: -5.238 where: short stacking energy: -5.238 Base-Backbone interact. energy: -0.014 local terms energy: -22.900197 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: 0.445 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: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -27.019720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.019720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.019720 (E_RNA) where: Base-Base interactions energy: -8.846 where: short stacking energy: -4.118 Base-Backbone interact. energy: -0.121 local terms energy: -18.052049 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -4.174 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: 2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -30.616393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.616393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.616393 (E_RNA) where: Base-Base interactions energy: -5.220 where: short stacking energy: -5.220 Base-Backbone interact. energy: -0.003 local terms energy: -25.393569 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -2.461 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -4.717 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: 10, replica: 8 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -32.976700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.976700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.976700 (E_RNA) where: Base-Base interactions energy: -7.685 where: short stacking energy: -7.685 Base-Backbone interact. energy: -0.000 local terms energy: -25.291379 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -3.281 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: 1, replica: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -38.976219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.976219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.976219 (E_RNA) where: Base-Base interactions energy: -14.225 where: short stacking energy: -14.225 Base-Backbone interact. energy: -0.054 local terms energy: -24.696665 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -35.050175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.050175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.050175 (E_RNA) where: Base-Base interactions energy: -9.875 where: short stacking energy: -9.875 Base-Backbone interact. energy: -1.054 local terms energy: -24.121887 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -4.912 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: 409 Temperature: 1.000000 Total energy: -41.129532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.129532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.129532 (E_RNA) where: Base-Base interactions energy: -14.202 where: short stacking energy: -14.202 Base-Backbone interact. energy: -1.052 local terms energy: -25.875032 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -35.146652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.146652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.146652 (E_RNA) where: Base-Base interactions energy: -11.072 where: short stacking energy: -11.072 Base-Backbone interact. energy: -0.006 local terms energy: -24.068287 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -37.427304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.427304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.427304 (E_RNA) where: Base-Base interactions energy: -10.423 where: short stacking energy: -10.423 Base-Backbone interact. energy: -0.013 local terms energy: -26.991710 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -3.332 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: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -38.495927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.495927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.495927 (E_RNA) where: Base-Base interactions energy: -11.902 where: short stacking energy: -11.902 Base-Backbone interact. energy: -0.001 local terms energy: -26.593437 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -3.599 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: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -31.739082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.739082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.739082 (E_RNA) where: Base-Base interactions energy: -6.345 where: short stacking energy: -6.345 Base-Backbone interact. energy: -0.002 local terms energy: -25.391855 where: bonds (distance) C4'-P energy: -7.549 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -30.254549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.254549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.254549 (E_RNA) where: Base-Base interactions energy: -9.566 where: short stacking energy: -7.380 Base-Backbone interact. energy: -0.174 local terms energy: -20.514380 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -2.641 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: 9, replica: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -28.709663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.709663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.709663 (E_RNA) where: Base-Base interactions energy: -4.964 where: short stacking energy: -4.964 Base-Backbone interact. energy: -0.003 local terms energy: -23.743162 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.964 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -33.221696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.221696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.221696 (E_RNA) where: Base-Base interactions energy: -11.546 where: short stacking energy: -11.546 Base-Backbone interact. energy: -0.000 local terms energy: -21.675654 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -2.492 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: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -39.247171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.247171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.247171 (E_RNA) where: Base-Base interactions energy: -14.676 where: short stacking energy: -14.676 Base-Backbone interact. energy: -0.000 local terms energy: -24.571531 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -5.250 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: 2, replica: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -43.445141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.445141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.445141 (E_RNA) where: Base-Base interactions energy: -15.542 where: short stacking energy: -15.542 Base-Backbone interact. energy: -0.063 local terms energy: -27.840401 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -33.692577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.692577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.692577 (E_RNA) where: Base-Base interactions energy: -8.562 where: short stacking energy: -8.562 Base-Backbone interact. energy: -0.007 local terms energy: -25.123143 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -1.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -37.218777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.218777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.218777 (E_RNA) where: Base-Base interactions energy: -11.175 where: short stacking energy: -9.204 Base-Backbone interact. energy: -0.006 local terms energy: -26.038326 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -5.173 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: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -32.581068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.581068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.581068 (E_RNA) where: Base-Base interactions energy: -8.704 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.161 local terms energy: -23.715307 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -4.799 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: 6, replica: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -28.854818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.854818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.854818 (E_RNA) where: Base-Base interactions energy: -9.101 where: short stacking energy: -9.101 Base-Backbone interact. energy: -0.164 local terms energy: -19.589359 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -2.418 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: 0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -29.591705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.591705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.591705 (E_RNA) where: Base-Base interactions energy: -5.902 where: short stacking energy: -5.902 Base-Backbone interact. energy: -0.008 local terms energy: -23.680774 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -5.698 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: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -33.324467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.324467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.324467 (E_RNA) where: Base-Base interactions energy: -7.470 where: short stacking energy: -7.470 Base-Backbone interact. energy: -0.001 local terms energy: -25.853215 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -28.236639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.236639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.236639 (E_RNA) where: Base-Base interactions energy: -5.888 where: short stacking energy: -5.888 Base-Backbone interact. energy: 0.279 local terms energy: -22.628065 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -2.665 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -29.258247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.258247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.258247 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -7.861 Base-Backbone interact. energy: -0.029 local terms energy: -21.368294 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -5.444 tors. eta vs tors. theta energy: 0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -35.438520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.438520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.438520 (E_RNA) where: Base-Base interactions energy: -10.511 where: short stacking energy: -10.511 Base-Backbone interact. energy: -0.012 local terms energy: -24.915528 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.597 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: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -37.207378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.207378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.207378 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -12.868 Base-Backbone interact. energy: -0.002 local terms energy: -25.837895 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -2.309 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: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -35.936700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.936700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.936700 (E_RNA) where: Base-Base interactions energy: -10.711 where: short stacking energy: -10.711 Base-Backbone interact. energy: -0.085 local terms energy: -25.140687 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -31.119655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.119655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.119655 (E_RNA) where: Base-Base interactions energy: -6.997 where: short stacking energy: -6.997 Base-Backbone interact. energy: -0.015 local terms energy: -24.107371 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -3.988 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: 5, replica: 2 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -38.320165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.320165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.320165 (E_RNA) where: Base-Base interactions energy: -12.250 where: short stacking energy: -12.250 Base-Backbone interact. energy: -0.002 local terms energy: -26.067450 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -32.563611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.563611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.563611 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: -8.413 Base-Backbone interact. energy: -0.018 local terms energy: -24.132792 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -3.946 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -4.504 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: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -32.080191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.080191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.080191 (E_RNA) where: Base-Base interactions energy: -8.058 where: short stacking energy: -8.058 Base-Backbone interact. energy: -0.453 local terms energy: -23.569216 where: bonds (distance) C4'-P energy: -4.465 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -30.105798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.105798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.105798 (E_RNA) where: Base-Base interactions energy: -7.419 where: short stacking energy: -7.419 Base-Backbone interact. energy: -0.000 local terms energy: -22.687112 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -29.951703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.951703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.951703 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.894 Base-Backbone interact. energy: -0.000 local terms energy: -23.057357 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -2.921 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: 10, replica: 5 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -32.365844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.365844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.365844 (E_RNA) where: Base-Base interactions energy: -8.457 where: short stacking energy: -8.457 Base-Backbone interact. energy: -0.001 local terms energy: -23.907211 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.160 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: 1, replica: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -41.096744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.096744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.096744 (E_RNA) where: Base-Base interactions energy: -12.013 where: short stacking energy: -12.013 Base-Backbone interact. energy: -0.180 local terms energy: -28.903870 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -3.423 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: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -34.146437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.146437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.146437 (E_RNA) where: Base-Base interactions energy: -6.732 where: short stacking energy: -4.903 Base-Backbone interact. energy: -0.001 local terms energy: -27.413426 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -5.786 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: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -34.867402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.867402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.867402 (E_RNA) where: Base-Base interactions energy: -11.289 where: short stacking energy: -11.289 Base-Backbone interact. energy: -0.001 local terms energy: -23.577454 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -4.862 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: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -34.783926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.783926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.783926 (E_RNA) where: Base-Base interactions energy: -7.913 where: short stacking energy: -7.913 Base-Backbone interact. energy: -0.001 local terms energy: -26.869650 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -3.877 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: 5, replica: 9 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -32.272048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.272048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.272048 (E_RNA) where: Base-Base interactions energy: -7.039 where: short stacking energy: -7.039 Base-Backbone interact. energy: -0.000 local terms energy: -25.233408 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -5.051 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: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -35.072586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.072586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.072586 (E_RNA) where: Base-Base interactions energy: -11.393 where: short stacking energy: -11.393 Base-Backbone interact. energy: -0.095 local terms energy: -23.584748 where: bonds (distance) C4'-P energy: -2.996 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -5.723 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: 7, replica: 8 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -36.922790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.922790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.922790 (E_RNA) where: Base-Base interactions energy: -8.947 where: short stacking energy: -8.947 Base-Backbone interact. energy: -0.000 local terms energy: -27.975611 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -30.199597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.199597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.199597 (E_RNA) where: Base-Base interactions energy: -5.045 where: short stacking energy: -5.045 Base-Backbone interact. energy: -0.011 local terms energy: -25.143494 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -28.847560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.847560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.847560 (E_RNA) where: Base-Base interactions energy: -6.685 where: short stacking energy: -6.685 Base-Backbone interact. energy: -0.000 local terms energy: -22.162558 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -1.579 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: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -28.521863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.521863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.521863 (E_RNA) where: Base-Base interactions energy: -2.847 where: short stacking energy: -1.964 Base-Backbone interact. energy: -0.014 local terms energy: -25.661107 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -5.992 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: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -37.536291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.536291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.536291 (E_RNA) where: Base-Base interactions energy: -12.298 where: short stacking energy: -12.273 Base-Backbone interact. energy: -0.003 local terms energy: -25.235276 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -2.382 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: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -36.091736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.091736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.091736 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.007 local terms energy: -25.450004 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -4.663 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: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -41.115998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.115998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.115998 (E_RNA) where: Base-Base interactions energy: -14.629 where: short stacking energy: -14.072 Base-Backbone interact. energy: -0.001 local terms energy: -26.486114 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -2.411 tors. eta vs tors. theta energy: -6.646 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: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -36.871671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.871671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.871671 (E_RNA) where: Base-Base interactions energy: -9.505 where: short stacking energy: -9.505 Base-Backbone interact. energy: -0.000 local terms energy: -27.365981 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -2.905 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: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -36.961739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.961739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.961739 (E_RNA) where: Base-Base interactions energy: -8.384 where: short stacking energy: -8.384 Base-Backbone interact. energy: -0.002 local terms energy: -28.575669 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.970 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: 6, replica: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -30.951552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.951552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.951552 (E_RNA) where: Base-Base interactions energy: -8.582 where: short stacking energy: -8.682 Base-Backbone interact. energy: -0.034 local terms energy: -22.335777 where: bonds (distance) C4'-P energy: -2.712 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -5.698 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: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -34.856359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.856359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.856359 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.003 local terms energy: -23.098998 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.788 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -2.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -30.686146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.686146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.686146 (E_RNA) where: Base-Base interactions energy: -7.036 where: short stacking energy: -6.536 Base-Backbone interact. energy: -0.073 local terms energy: -23.576335 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -1.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -28.243458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.243458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.243458 (E_RNA) where: Base-Base interactions energy: -10.103 where: short stacking energy: -10.103 Base-Backbone interact. energy: -0.005 local terms energy: -18.135337 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -4.505 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -1.054 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: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -33.092162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.092162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.092162 (E_RNA) where: Base-Base interactions energy: -11.446 where: short stacking energy: -11.446 Base-Backbone interact. energy: -0.008 local terms energy: -21.638172 where: bonds (distance) C4'-P energy: -4.961 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: 1.735 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -37.531690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.531690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.531690 (E_RNA) where: Base-Base interactions energy: -10.512 where: short stacking energy: -10.512 Base-Backbone interact. energy: -0.095 local terms energy: -26.925189 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -39.485462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.485462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.485462 (E_RNA) where: Base-Base interactions energy: -14.863 where: short stacking energy: -14.863 Base-Backbone interact. energy: -0.003 local terms energy: -24.619290 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -34.998369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.998369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.998369 (E_RNA) where: Base-Base interactions energy: -8.508 where: short stacking energy: -8.508 Base-Backbone interact. energy: -0.000 local terms energy: -26.490049 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.342 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -35.032084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.032084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.032084 (E_RNA) where: Base-Base interactions energy: -12.224 where: short stacking energy: -12.224 Base-Backbone interact. energy: -0.000 local terms energy: -22.808325 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -34.207617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.207617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.207617 (E_RNA) where: Base-Base interactions energy: -9.764 where: short stacking energy: -9.764 Base-Backbone interact. energy: -0.058 local terms energy: -24.385383 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -3.967 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: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -38.129490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.129490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.129490 (E_RNA) where: Base-Base interactions energy: -14.374 where: short stacking energy: -14.374 Base-Backbone interact. energy: -0.001 local terms energy: -23.754525 where: bonds (distance) C4'-P energy: -3.338 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -32.380044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.380044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.380044 (E_RNA) where: Base-Base interactions energy: -9.647 where: short stacking energy: -9.647 Base-Backbone interact. energy: -0.044 local terms energy: -22.688990 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -30.656540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.656540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.656540 (E_RNA) where: Base-Base interactions energy: -12.890 where: short stacking energy: -10.270 Base-Backbone interact. energy: -0.003 local terms energy: -17.763787 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -1.240 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: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -27.401348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.401348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.401348 (E_RNA) where: Base-Base interactions energy: -6.721 where: short stacking energy: -6.721 Base-Backbone interact. energy: -0.001 local terms energy: -20.679846 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -2.075 flat angles P-C4'-P energy: -3.795 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: 10, replica: 6 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -28.608754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.608754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.608754 (E_RNA) where: Base-Base interactions energy: -4.683 where: short stacking energy: -4.683 Base-Backbone interact. energy: -0.013 local terms energy: -23.912488 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -2.764 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: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -44.429304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.429304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.429304 (E_RNA) where: Base-Base interactions energy: -15.216 where: short stacking energy: -15.216 Base-Backbone interact. energy: -0.004 local terms energy: -29.209843 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -4.531 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: 415 Temperature: 0.950000 Total energy: -44.858152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.858152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.858152 (E_RNA) where: Base-Base interactions energy: -16.036 where: short stacking energy: -15.039 Base-Backbone interact. energy: -0.095 local terms energy: -28.726855 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.454 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -5.911 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: 3, replica: 4 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -32.862155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.862155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.862155 (E_RNA) where: Base-Base interactions energy: -4.835 where: short stacking energy: -4.835 Base-Backbone interact. energy: -0.050 local terms energy: -27.976506 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -6.062 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: 4, replica: 10 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -37.063920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.063920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.063920 (E_RNA) where: Base-Base interactions energy: -12.835 where: short stacking energy: -12.835 Base-Backbone interact. energy: -0.000 local terms energy: -24.229260 where: bonds (distance) C4'-P energy: -4.498 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -30.153949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.153949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.153949 (E_RNA) where: Base-Base interactions energy: -6.108 where: short stacking energy: -6.108 Base-Backbone interact. energy: -0.071 local terms energy: -23.974614 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -4.649 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: 6, replica: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -33.603828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.603828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.603828 (E_RNA) where: Base-Base interactions energy: -7.638 where: short stacking energy: -7.638 Base-Backbone interact. energy: 0.262 local terms energy: -26.227291 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -30.581538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.581538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.581538 (E_RNA) where: Base-Base interactions energy: -6.377 where: short stacking energy: -6.377 Base-Backbone interact. energy: -0.042 local terms energy: -24.162715 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -4.403 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: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -29.479556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.479556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.479556 (E_RNA) where: Base-Base interactions energy: -7.859 where: short stacking energy: -7.859 Base-Backbone interact. energy: -0.099 local terms energy: -21.521157 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -0.588 tors. eta vs tors. theta energy: -1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -28.401873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.401873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.401873 (E_RNA) where: Base-Base interactions energy: -3.758 where: short stacking energy: -3.758 Base-Backbone interact. energy: -0.100 local terms energy: -24.543597 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.055 flat angles P-C4'-P energy: -5.758 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: 10, replica: 6 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -31.529820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.529820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.529820 (E_RNA) where: Base-Base interactions energy: -6.587 where: short stacking energy: -6.587 Base-Backbone interact. energy: -0.047 local terms energy: -24.896329 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -39.610811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.610811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.610811 (E_RNA) where: Base-Base interactions energy: -11.035 where: short stacking energy: -11.035 Base-Backbone interact. energy: -0.000 local terms energy: -28.576171 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -37.945087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.945087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.945087 (E_RNA) where: Base-Base interactions energy: -9.122 where: short stacking energy: -9.122 Base-Backbone interact. energy: -0.000 local terms energy: -28.822684 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -5.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -36.606624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.606624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.606624 (E_RNA) where: Base-Base interactions energy: -10.374 where: short stacking energy: -10.354 Base-Backbone interact. energy: -0.094 local terms energy: -26.138573 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -5.427 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: 4, replica: 4 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -35.046210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.046210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.046210 (E_RNA) where: Base-Base interactions energy: -10.007 where: short stacking energy: -10.007 Base-Backbone interact. energy: -0.001 local terms energy: -25.038316 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -34.324846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.324846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.324846 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.004 local terms energy: -24.429750 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.374 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: 6, replica: 8 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -36.030569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.030569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.030569 (E_RNA) where: Base-Base interactions energy: -8.850 where: short stacking energy: -8.850 Base-Backbone interact. energy: -0.000 local terms energy: -27.179730 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -5.570 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: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -32.850332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.850332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.850332 (E_RNA) where: Base-Base interactions energy: -5.863 where: short stacking energy: -5.863 Base-Backbone interact. energy: -0.031 local terms energy: -26.956514 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -5.256 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: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -31.165685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.165685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.165685 (E_RNA) where: Base-Base interactions energy: -4.654 where: short stacking energy: -4.654 Base-Backbone interact. energy: -0.001 local terms energy: -26.510667 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -28.641848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.641848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.641848 (E_RNA) where: Base-Base interactions energy: -8.508 where: short stacking energy: -8.508 Base-Backbone interact. energy: -0.121 local terms energy: -20.012483 where: bonds (distance) C4'-P energy: -5.865 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -1.772 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -31.373225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.373225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.373225 (E_RNA) where: Base-Base interactions energy: -11.588 where: short stacking energy: -11.411 Base-Backbone interact. energy: -0.021 local terms energy: -19.763894 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -1.977 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.116 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: 1, replica: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -39.689861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.689861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.689861 (E_RNA) where: Base-Base interactions energy: -13.216 where: short stacking energy: -13.216 Base-Backbone interact. energy: -0.000 local terms energy: -26.473389 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -4.366 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: 2, replica: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -40.318951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.318951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.318951 (E_RNA) where: Base-Base interactions energy: -12.003 where: short stacking energy: -12.003 Base-Backbone interact. energy: -0.060 local terms energy: -28.256120 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -4.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -35.070676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.070676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.070676 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.130 local terms energy: -24.907382 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -35.748254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.748254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.748254 (E_RNA) where: Base-Base interactions energy: -10.529 where: short stacking energy: -10.529 Base-Backbone interact. energy: -0.028 local terms energy: -25.190988 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -4.606 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: 4 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -32.901307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.901307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.901307 (E_RNA) where: Base-Base interactions energy: -6.599 where: short stacking energy: -6.599 Base-Backbone interact. energy: -0.006 local terms energy: -26.296908 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -4.232 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: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -29.124260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.124260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.124260 (E_RNA) where: Base-Base interactions energy: -3.263 where: short stacking energy: -3.263 Base-Backbone interact. energy: -0.001 local terms energy: -25.860181 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -5.104 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: 7, replica: 8 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -31.472220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.472220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.472220 (E_RNA) where: Base-Base interactions energy: -9.111 where: short stacking energy: -9.111 Base-Backbone interact. energy: -0.057 local terms energy: -22.303891 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.034 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -5.067 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: 8, replica: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -28.632062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.632062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.632062 (E_RNA) where: Base-Base interactions energy: -8.357 where: short stacking energy: -8.357 Base-Backbone interact. energy: -0.046 local terms energy: -20.228945 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: 0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -29.031082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.031082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.031082 (E_RNA) where: Base-Base interactions energy: -6.032 where: short stacking energy: -6.214 Base-Backbone interact. energy: 1.075 local terms energy: -24.073676 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -5.398 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: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -28.066266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.066266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.066266 (E_RNA) where: Base-Base interactions energy: -2.777 where: short stacking energy: -2.777 Base-Backbone interact. energy: -0.066 local terms energy: -25.222915 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -4.198 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: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -39.559460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.559460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.559460 (E_RNA) where: Base-Base interactions energy: -11.798 where: short stacking energy: -11.798 Base-Backbone interact. energy: -0.021 local terms energy: -27.741009 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -6.014 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: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -37.534099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.534099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.534099 (E_RNA) where: Base-Base interactions energy: -8.719 where: short stacking energy: -8.719 Base-Backbone interact. energy: -0.000 local terms energy: -28.814538 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -39.201904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.201904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.201904 (E_RNA) where: Base-Base interactions energy: -9.669 where: short stacking energy: -9.669 Base-Backbone interact. energy: -0.000 local terms energy: -29.533013 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -35.089656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.089656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.089656 (E_RNA) where: Base-Base interactions energy: -6.645 where: short stacking energy: -6.645 Base-Backbone interact. energy: -0.138 local terms energy: -28.306568 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -4.659 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: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -31.312529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.312529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.312529 (E_RNA) where: Base-Base interactions energy: -7.639 where: short stacking energy: -7.639 Base-Backbone interact. energy: -0.052 local terms energy: -23.620696 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.700 flat angles P-C4'-P energy: -5.168 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: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -31.537497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.537497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.537497 (E_RNA) where: Base-Base interactions energy: -3.993 where: short stacking energy: -3.993 Base-Backbone interact. energy: -0.003 local terms energy: -27.541195 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -5.167 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: 7, replica: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -31.572646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.572646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.572646 (E_RNA) where: Base-Base interactions energy: -10.002 where: short stacking energy: -10.002 Base-Backbone interact. energy: -0.000 local terms energy: -21.570621 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -4.116 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: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -33.751917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.751917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.751917 (E_RNA) where: Base-Base interactions energy: -14.190 where: short stacking energy: -14.110 Base-Backbone interact. energy: -0.000 local terms energy: -19.562255 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.038 flat angles P-C4'-P energy: -0.601 tors. eta vs tors. theta energy: -4.363 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: 9, replica: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -27.131498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.131498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.131498 (E_RNA) where: Base-Base interactions energy: -6.674 where: short stacking energy: -6.674 Base-Backbone interact. energy: -0.012 local terms energy: -20.445368 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -3.855 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: 0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -26.271128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.271128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.271128 (E_RNA) where: Base-Base interactions energy: -4.197 where: short stacking energy: -2.523 Base-Backbone interact. energy: -0.082 local terms energy: -21.992203 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -4.452 flat angles C4'-P-C4' energy: -1.456 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -43.390103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.390103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.390103 (E_RNA) where: Base-Base interactions energy: -15.568 where: short stacking energy: -15.568 Base-Backbone interact. energy: -0.088 local terms energy: -27.733817 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -35.730867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.730867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.730867 (E_RNA) where: Base-Base interactions energy: -11.190 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.051 local terms energy: -24.489987 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -0.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -42.836800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.836800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.836800 (E_RNA) where: Base-Base interactions energy: -14.085 where: short stacking energy: -14.085 Base-Backbone interact. energy: -0.001 local terms energy: -28.750603 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -4.098 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: 4, replica: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -34.295809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.295809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.295809 (E_RNA) where: Base-Base interactions energy: -6.140 where: short stacking energy: -6.140 Base-Backbone interact. energy: 0.197 local terms energy: -28.352147 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -4.868 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: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -32.092206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.092206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.092206 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.018 local terms energy: -24.426592 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -5.055 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: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -36.303852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.303852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.303852 (E_RNA) where: Base-Base interactions energy: -9.692 where: short stacking energy: -9.692 Base-Backbone interact. energy: -0.046 local terms energy: -26.566450 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -34.789397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.789397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.789397 (E_RNA) where: Base-Base interactions energy: -10.567 where: short stacking energy: -10.567 Base-Backbone interact. energy: -0.180 local terms energy: -24.041975 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -3.133 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: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -29.808959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.808959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.808959 (E_RNA) where: Base-Base interactions energy: -8.948 where: short stacking energy: -8.586 Base-Backbone interact. energy: -0.005 local terms energy: -20.855722 where: bonds (distance) C4'-P energy: -3.348 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -2.441 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: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -32.986359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.986359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.986359 (E_RNA) where: Base-Base interactions energy: -11.025 where: short stacking energy: -11.025 Base-Backbone interact. energy: -0.011 local terms energy: -21.949401 where: bonds (distance) C4'-P energy: -3.108 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -27.597839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.597839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.597839 (E_RNA) where: Base-Base interactions energy: -10.015 where: short stacking energy: -10.015 Base-Backbone interact. energy: -0.059 local terms energy: -17.523647 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -2.448 tors. eta vs tors. theta energy: 0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -38.936815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.936815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.936815 (E_RNA) where: Base-Base interactions energy: -9.829 where: short stacking energy: -9.829 Base-Backbone interact. energy: -0.069 local terms energy: -29.038887 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -5.787 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: 2, replica: 10 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -40.035879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.035879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.035879 (E_RNA) where: Base-Base interactions energy: -11.311 where: short stacking energy: -11.311 Base-Backbone interact. energy: -0.020 local terms energy: -28.704818 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -4.555 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: 3, replica: 1 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -34.031111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.031111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.031111 (E_RNA) where: Base-Base interactions energy: -8.084 where: short stacking energy: -8.084 Base-Backbone interact. energy: -0.097 local terms energy: -25.849766 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: 0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -36.776886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.776886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.776886 (E_RNA) where: Base-Base interactions energy: -11.630 where: short stacking energy: -11.630 Base-Backbone interact. energy: -0.000 local terms energy: -25.146520 where: bonds (distance) C4'-P energy: -4.721 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -35.726743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.726743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.726743 (E_RNA) where: Base-Base interactions energy: -10.116 where: short stacking energy: -10.116 Base-Backbone interact. energy: -0.163 local terms energy: -25.447286 where: bonds (distance) C4'-P energy: -4.709 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -4.046 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: 6, replica: 7 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -32.892759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.892759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.892759 (E_RNA) where: Base-Base interactions energy: -8.427 where: short stacking energy: -8.427 Base-Backbone interact. energy: -0.025 local terms energy: -24.440377 where: bonds (distance) C4'-P energy: -5.147 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -4.099 tors. eta vs tors. theta energy: -3.846 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: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -31.224417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.224417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.224417 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.099 local terms energy: -23.536627 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: 0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -28.079161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.079161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.079161 (E_RNA) where: Base-Base interactions energy: -2.878 where: short stacking energy: -2.878 Base-Backbone interact. energy: -0.051 local terms energy: -25.150626 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -5.148 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: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -31.700967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.700967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.700967 (E_RNA) where: Base-Base interactions energy: -11.682 where: short stacking energy: -11.682 Base-Backbone interact. energy: -0.001 local terms energy: -20.017766 where: bonds (distance) C4'-P energy: -3.376 bonds (distance) P-C4' energy: -3.290 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -2.764 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -29.055058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.055058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.055058 (E_RNA) where: Base-Base interactions energy: -5.885 where: short stacking energy: -5.885 Base-Backbone interact. energy: -0.129 local terms energy: -23.041250 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.267 flat angles P-C4'-P energy: -5.119 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: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -42.904587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.904587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.904587 (E_RNA) where: Base-Base interactions energy: -16.128 where: short stacking energy: -16.128 Base-Backbone interact. energy: -0.000 local terms energy: -26.776407 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -4.671 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -38.410708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.410708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.410708 (E_RNA) where: Base-Base interactions energy: -11.445 where: short stacking energy: -11.445 Base-Backbone interact. energy: -0.029 local terms energy: -26.936543 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -5.721 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: 3, replica: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -33.381746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.381746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.381746 (E_RNA) where: Base-Base interactions energy: -9.708 where: short stacking energy: -7.781 Base-Backbone interact. energy: -0.129 local terms energy: -23.544391 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -6.014 tors. eta vs tors. theta energy: 0.578 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: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -34.536026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.536026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.536026 (E_RNA) where: Base-Base interactions energy: -5.885 where: short stacking energy: -5.885 Base-Backbone interact. energy: -0.082 local terms energy: -28.569372 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -5.445 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: 5, replica: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -31.831191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.831191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.831191 (E_RNA) where: Base-Base interactions energy: -10.004 where: short stacking energy: -10.004 Base-Backbone interact. energy: -0.044 local terms energy: -21.783364 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -2.178 flat angles P-C4'-P energy: -3.071 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: 6, replica: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -31.718200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.718200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.718200 (E_RNA) where: Base-Base interactions energy: -7.431 where: short stacking energy: -7.431 Base-Backbone interact. energy: -0.079 local terms energy: -24.208226 where: bonds (distance) C4'-P energy: -5.627 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -4.103 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: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -30.197054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.197054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.197054 (E_RNA) where: Base-Base interactions energy: -7.275 where: short stacking energy: -7.275 Base-Backbone interact. energy: -0.325 local terms energy: -22.596353 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -4.783 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: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -32.796579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.796579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.796579 (E_RNA) where: Base-Base interactions energy: -7.180 where: short stacking energy: -7.180 Base-Backbone interact. energy: -0.071 local terms energy: -25.545319 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -4.956 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: 9, replica: 4 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -28.343309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.343309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.343309 (E_RNA) where: Base-Base interactions energy: -6.305 where: short stacking energy: -6.305 Base-Backbone interact. energy: -0.008 local terms energy: -22.030153 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.794 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -2.601 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: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -30.329560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.329560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.329560 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.202 local terms energy: -18.178046 where: bonds (distance) C4'-P energy: -2.433 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -0.128 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: 1, replica: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -42.708025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.708025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.708025 (E_RNA) where: Base-Base interactions energy: -13.667 where: short stacking energy: -13.667 Base-Backbone interact. energy: -0.000 local terms energy: -29.040545 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -4.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -40.261878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.261878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.261878 (E_RNA) where: Base-Base interactions energy: -11.451 where: short stacking energy: -11.451 Base-Backbone interact. energy: -0.000 local terms energy: -28.811236 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -5.700 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: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -33.318904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.318904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.318904 (E_RNA) where: Base-Base interactions energy: -7.006 where: short stacking energy: -7.006 Base-Backbone interact. energy: -0.062 local terms energy: -26.251506 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: 0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -36.661624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.661624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.661624 (E_RNA) where: Base-Base interactions energy: -10.334 where: short stacking energy: -10.334 Base-Backbone interact. energy: -0.003 local terms energy: -26.324780 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.408 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: 5, replica: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -33.959038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.959038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.959038 (E_RNA) where: Base-Base interactions energy: -8.287 where: short stacking energy: -8.287 Base-Backbone interact. energy: -0.031 local terms energy: -25.640982 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -4.190 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: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -34.766422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.766422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.766422 (E_RNA) where: Base-Base interactions energy: -10.878 where: short stacking energy: -10.878 Base-Backbone interact. energy: -0.101 local terms energy: -23.787074 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -3.830 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: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -33.793114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.793114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.793114 (E_RNA) where: Base-Base interactions energy: -9.679 where: short stacking energy: -9.679 Base-Backbone interact. energy: -0.004 local terms energy: -24.109737 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -30.243035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.243035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.243035 (E_RNA) where: Base-Base interactions energy: -10.328 where: short stacking energy: -10.328 Base-Backbone interact. energy: -0.008 local terms energy: -19.907576 where: bonds (distance) C4'-P energy: -0.400 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -5.472 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: 9, replica: 8 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -29.487855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.487855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.487855 (E_RNA) where: Base-Base interactions energy: -5.836 where: short stacking energy: -5.836 Base-Backbone interact. energy: -0.000 local terms energy: -23.651614 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -2.604 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: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -28.468136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.468136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.468136 (E_RNA) where: Base-Base interactions energy: -4.176 where: short stacking energy: -4.176 Base-Backbone interact. energy: -0.001 local terms energy: -24.290759 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.307 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -4.349 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: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -40.896462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.896462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.896462 (E_RNA) where: Base-Base interactions energy: -10.540 where: short stacking energy: -10.540 Base-Backbone interact. energy: -0.000 local terms energy: -30.356188 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -4.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -34.375938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.375938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.375938 (E_RNA) where: Base-Base interactions energy: -5.883 where: short stacking energy: -5.883 Base-Backbone interact. energy: -0.195 local terms energy: -28.298271 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -2.770 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: 3, replica: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -37.565386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.565386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.565386 (E_RNA) where: Base-Base interactions energy: -9.875 where: short stacking energy: -9.875 Base-Backbone interact. energy: -0.062 local terms energy: -27.628195 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -31.733344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.733344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.733344 (E_RNA) where: Base-Base interactions energy: -6.746 where: short stacking energy: -6.746 Base-Backbone interact. energy: -0.095 local terms energy: -24.892433 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -3.399 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: 5, replica: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -38.538429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.538429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.538429 (E_RNA) where: Base-Base interactions energy: -10.161 where: short stacking energy: -9.023 Base-Backbone interact. energy: -0.001 local terms energy: -28.376776 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -6.832 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: 6 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -34.977154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.977154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.977154 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.093 local terms energy: -27.478020 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.625 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -3.818 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: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -33.464632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.464632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.464632 (E_RNA) where: Base-Base interactions energy: -6.128 where: short stacking energy: -6.128 Base-Backbone interact. energy: -0.066 local terms energy: -27.270494 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -35.684445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.684445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.684445 (E_RNA) where: Base-Base interactions energy: -11.010 where: short stacking energy: -11.010 Base-Backbone interact. energy: -0.001 local terms energy: -24.673495 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -30.783173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.783173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.783173 (E_RNA) where: Base-Base interactions energy: -5.185 where: short stacking energy: -5.185 Base-Backbone interact. energy: -0.090 local terms energy: -25.508561 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -5.798 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -4.292 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: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -26.842323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.842323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.842323 (E_RNA) where: Base-Base interactions energy: -3.388 where: short stacking energy: -3.388 Base-Backbone interact. energy: -0.001 local terms energy: -23.453666 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -5.089 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: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -41.529636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.529636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.529636 (E_RNA) where: Base-Base interactions energy: -16.480 where: short stacking energy: -16.480 Base-Backbone interact. energy: -0.000 local terms energy: -25.049584 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -3.973 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: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -34.242617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.242617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.242617 (E_RNA) where: Base-Base interactions energy: -9.299 where: short stacking energy: -9.299 Base-Backbone interact. energy: -0.002 local terms energy: -24.941755 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -4.790 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: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -37.937956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.937956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.937956 (E_RNA) where: Base-Base interactions energy: -11.353 where: short stacking energy: -10.917 Base-Backbone interact. energy: -0.054 local terms energy: -26.531189 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -4.171 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: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -34.773446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.773446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.773446 (E_RNA) where: Base-Base interactions energy: -11.805 where: short stacking energy: -8.667 Base-Backbone interact. energy: -0.033 local terms energy: -22.935244 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.018 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: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -32.388545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.388545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.388545 (E_RNA) where: Base-Base interactions energy: -9.835 where: short stacking energy: -9.835 Base-Backbone interact. energy: -0.045 local terms energy: -22.508716 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -4.426 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: 6, replica: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -31.717031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.717031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.717031 (E_RNA) where: Base-Base interactions energy: -4.002 where: short stacking energy: -4.002 Base-Backbone interact. energy: -0.006 local terms energy: -27.708932 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -5.198 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: 7, replica: 8 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -31.201671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.201671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.201671 (E_RNA) where: Base-Base interactions energy: -4.635 where: short stacking energy: -4.635 Base-Backbone interact. energy: -0.007 local terms energy: -26.560343 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -2.590 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: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -27.283041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.283041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.283041 (E_RNA) where: Base-Base interactions energy: -5.593 where: short stacking energy: -5.593 Base-Backbone interact. energy: -0.006 local terms energy: -21.684286 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -3.272 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: 0.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -26.761314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.761314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.761314 (E_RNA) where: Base-Base interactions energy: -3.670 where: short stacking energy: -3.670 Base-Backbone interact. energy: -0.000 local terms energy: -23.091425 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -2.896 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: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -29.003632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.003632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.003632 (E_RNA) where: Base-Base interactions energy: -3.528 where: short stacking energy: -3.528 Base-Backbone interact. energy: -0.053 local terms energy: -25.422172 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -5.626 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: 1, replica: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -38.057445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.057445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.057445 (E_RNA) where: Base-Base interactions energy: -10.822 where: short stacking energy: -10.822 Base-Backbone interact. energy: -0.000 local terms energy: -27.234911 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -4.606 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: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -41.470621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.470621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.470621 (E_RNA) where: Base-Base interactions energy: -10.773 where: short stacking energy: -10.773 Base-Backbone interact. energy: -0.003 local terms energy: -30.694643 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -5.257 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: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -37.156931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.156931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.156931 (E_RNA) where: Base-Base interactions energy: -11.925 where: short stacking energy: -11.925 Base-Backbone interact. energy: -0.000 local terms energy: -25.232238 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.533 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -3.678 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: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -33.152819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.152819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.152819 (E_RNA) where: Base-Base interactions energy: -11.631 where: short stacking energy: -11.631 Base-Backbone interact. energy: -0.014 local terms energy: -21.507125 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -1.047 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: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -27.220748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.220748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.220748 (E_RNA) where: Base-Base interactions energy: -3.716 where: short stacking energy: -3.716 Base-Backbone interact. energy: -0.095 local terms energy: -23.409606 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -35.155361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.155361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.155361 (E_RNA) where: Base-Base interactions energy: -14.812 where: short stacking energy: -14.812 Base-Backbone interact. energy: 0.983 local terms energy: -21.325750 where: bonds (distance) C4'-P energy: -6.688 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -1.519 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: 7, replica: 10 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -35.182535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.182535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.182535 (E_RNA) where: Base-Base interactions energy: -11.037 where: short stacking energy: -11.037 Base-Backbone interact. energy: -0.000 local terms energy: -24.145510 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -1.642 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -25.827357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.827357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.827357 (E_RNA) where: Base-Base interactions energy: -7.053 where: short stacking energy: -7.053 Base-Backbone interact. energy: -0.000 local terms energy: -18.774239 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -2.453 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: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -29.794181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.794181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.794181 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.610 Base-Backbone interact. energy: -0.019 local terms energy: -22.165716 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -3.305 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -1.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -28.070240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.070240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.070240 (E_RNA) where: Base-Base interactions energy: -6.285 where: short stacking energy: -6.285 Base-Backbone interact. energy: -0.002 local terms energy: -21.783515 where: bonds (distance) C4'-P energy: -5.040 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -4.767 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: 1, replica: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -38.220723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.220723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.220723 (E_RNA) where: Base-Base interactions energy: -11.332 where: short stacking energy: -11.332 Base-Backbone interact. energy: -0.000 local terms energy: -26.888903 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -4.292 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: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -38.462197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.462197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.462197 (E_RNA) where: Base-Base interactions energy: -11.003 where: short stacking energy: -11.003 Base-Backbone interact. energy: -0.028 local terms energy: -27.432130 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -42.834348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.834348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.834348 (E_RNA) where: Base-Base interactions energy: -15.195 where: short stacking energy: -15.160 Base-Backbone interact. energy: 0.290 local terms energy: -27.929675 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -33.198600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.198600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.198600 (E_RNA) where: Base-Base interactions energy: -6.157 where: short stacking energy: -6.157 Base-Backbone interact. energy: -0.055 local terms energy: -26.986241 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -5.572 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: 5, replica: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -29.907416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.907416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.907416 (E_RNA) where: Base-Base interactions energy: -8.955 where: short stacking energy: -8.955 Base-Backbone interact. energy: -0.064 local terms energy: -20.888858 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -3.078 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -3.858 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: 6, replica: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -36.020299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.020299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.020299 (E_RNA) where: Base-Base interactions energy: -12.881 where: short stacking energy: -12.881 Base-Backbone interact. energy: -0.006 local terms energy: -23.133770 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -1.213 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -31.768972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.768972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.768972 (E_RNA) where: Base-Base interactions energy: -10.382 where: short stacking energy: -10.382 Base-Backbone interact. energy: -0.014 local terms energy: -21.372489 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -3.317 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: 8, replica: 10 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -33.994614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.994614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.994614 (E_RNA) where: Base-Base interactions energy: -8.319 where: short stacking energy: -8.319 Base-Backbone interact. energy: -0.000 local terms energy: -25.675222 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -3.247 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -30.940776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.940776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.940776 (E_RNA) where: Base-Base interactions energy: -5.049 where: short stacking energy: -4.431 Base-Backbone interact. energy: -0.163 local terms energy: -25.728188 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -4.600 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: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -30.059536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.059536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.059536 (E_RNA) where: Base-Base interactions energy: -4.030 where: short stacking energy: -4.030 Base-Backbone interact. energy: -0.083 local terms energy: -25.947239 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -44.344628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.344628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.344628 (E_RNA) where: Base-Base interactions energy: -16.101 where: short stacking energy: -16.101 Base-Backbone interact. energy: -0.000 local terms energy: -28.243360 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -3.736 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: 2, replica: 3 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -35.764099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.764099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.764099 (E_RNA) where: Base-Base interactions energy: -7.191 where: short stacking energy: -6.468 Base-Backbone interact. energy: -0.086 local terms energy: -28.487166 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.657 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: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -32.958908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.958908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.958908 (E_RNA) where: Base-Base interactions energy: -9.599 where: short stacking energy: -9.599 Base-Backbone interact. energy: -0.214 local terms energy: -23.145845 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: 0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -32.375727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.375727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.375727 (E_RNA) where: Base-Base interactions energy: -7.844 where: short stacking energy: -7.844 Base-Backbone interact. energy: -0.002 local terms energy: -24.530227 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -32.115521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.115521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.115521 (E_RNA) where: Base-Base interactions energy: -6.451 where: short stacking energy: -6.451 Base-Backbone interact. energy: -1.242 local terms energy: -24.422948 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -30.828775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.828775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.828775 (E_RNA) where: Base-Base interactions energy: -6.532 where: short stacking energy: -6.532 Base-Backbone interact. energy: 0.621 local terms energy: -24.918155 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -5.348 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: 7, replica: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -28.108420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.108420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.108420 (E_RNA) where: Base-Base interactions energy: -4.922 where: short stacking energy: -4.922 Base-Backbone interact. energy: -0.039 local terms energy: -23.147661 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: 1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -33.090412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.090412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.090412 (E_RNA) where: Base-Base interactions energy: -7.317 where: short stacking energy: -7.317 Base-Backbone interact. energy: -0.338 local terms energy: -25.435958 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -31.877494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.877494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.877494 (E_RNA) where: Base-Base interactions energy: -8.246 where: short stacking energy: -8.246 Base-Backbone interact. energy: -0.007 local terms energy: -23.624637 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -4.724 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: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -28.689024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.689024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.689024 (E_RNA) where: Base-Base interactions energy: -8.866 where: short stacking energy: -8.866 Base-Backbone interact. energy: -0.000 local terms energy: -19.822494 where: bonds (distance) C4'-P energy: -5.168 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -38.386226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.386226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.386226 (E_RNA) where: Base-Base interactions energy: -12.695 where: short stacking energy: -12.695 Base-Backbone interact. energy: -0.001 local terms energy: -25.690419 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -4.700 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: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -34.769934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.769934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.769934 (E_RNA) where: Base-Base interactions energy: -10.367 where: short stacking energy: -10.367 Base-Backbone interact. energy: -0.005 local terms energy: -24.398098 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -35.312888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.312888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.312888 (E_RNA) where: Base-Base interactions energy: -11.571 where: short stacking energy: -11.571 Base-Backbone interact. energy: -0.058 local terms energy: -23.684220 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.730 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: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -37.593818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.593818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.593818 (E_RNA) where: Base-Base interactions energy: -10.479 where: short stacking energy: -10.479 Base-Backbone interact. energy: -0.072 local terms energy: -27.043070 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -37.515434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.515434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.515434 (E_RNA) where: Base-Base interactions energy: -10.483 where: short stacking energy: -10.483 Base-Backbone interact. energy: -0.001 local terms energy: -27.030598 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -33.111331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.111331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.111331 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.008 local terms energy: -20.155306 where: bonds (distance) C4'-P energy: -3.580 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -4.752 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: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -26.874993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.874993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.874993 (E_RNA) where: Base-Base interactions energy: -8.997 where: short stacking energy: -8.997 Base-Backbone interact. energy: -0.063 local terms energy: -17.815091 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: 2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -26.790517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.790517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.790517 (E_RNA) where: Base-Base interactions energy: -4.651 where: short stacking energy: -4.651 Base-Backbone interact. energy: -0.071 local terms energy: -22.068750 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: 1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -30.332005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.332005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.332005 (E_RNA) where: Base-Base interactions energy: -7.876 where: short stacking energy: -7.876 Base-Backbone interact. energy: -0.004 local terms energy: -22.452099 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -3.305 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -3.184 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: 428 Temperature: 1.350000 Total energy: -30.398106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.398106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.398106 (E_RNA) where: Base-Base interactions energy: -8.695 where: short stacking energy: -8.695 Base-Backbone interact. energy: -0.034 local terms energy: -21.669976 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -3.767 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: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -38.013988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.013988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.013988 (E_RNA) where: Base-Base interactions energy: -11.099 where: short stacking energy: -11.099 Base-Backbone interact. energy: -0.100 local terms energy: -26.814626 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -6.077 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: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -42.332402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.332402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.332402 (E_RNA) where: Base-Base interactions energy: -14.736 where: short stacking energy: -14.736 Base-Backbone interact. energy: -0.094 local terms energy: -27.502829 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -37.594386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.594386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.594386 (E_RNA) where: Base-Base interactions energy: -12.003 where: short stacking energy: -12.003 Base-Backbone interact. energy: -0.008 local terms energy: -25.584149 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -3.644 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: 4, replica: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -36.686861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.686861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.686861 (E_RNA) where: Base-Base interactions energy: -12.604 where: short stacking energy: -12.604 Base-Backbone interact. energy: -0.000 local terms energy: -24.082439 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -3.458 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: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -37.054629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.054629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.054629 (E_RNA) where: Base-Base interactions energy: -11.542 where: short stacking energy: -11.542 Base-Backbone interact. energy: -0.031 local terms energy: -25.482550 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -3.891 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: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -28.960421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.960421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.960421 (E_RNA) where: Base-Base interactions energy: -7.352 where: short stacking energy: -5.491 Base-Backbone interact. energy: -0.034 local terms energy: -21.574477 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -0.814 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: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -31.634547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.634547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.634547 (E_RNA) where: Base-Base interactions energy: -7.299 where: short stacking energy: -7.256 Base-Backbone interact. energy: -0.001 local terms energy: -24.335328 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -5.372 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: 8, replica: 7 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -29.298529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.298529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.298529 (E_RNA) where: Base-Base interactions energy: -8.398 where: short stacking energy: -8.561 Base-Backbone interact. energy: -0.001 local terms energy: -20.899633 where: bonds (distance) C4'-P energy: -3.240 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -1.892 tors. eta vs tors. theta energy: -3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -31.354006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.354006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.354006 (E_RNA) where: Base-Base interactions energy: -5.055 where: short stacking energy: -5.055 Base-Backbone interact. energy: -0.065 local terms energy: -26.233961 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.841 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: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -28.596447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.596447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.596447 (E_RNA) where: Base-Base interactions energy: -8.078 where: short stacking energy: -8.078 Base-Backbone interact. energy: -0.019 local terms energy: -20.499485 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -3.979 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: 1, replica: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -44.946942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.946942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.946942 (E_RNA) where: Base-Base interactions energy: -15.715 where: short stacking energy: -15.715 Base-Backbone interact. energy: -0.001 local terms energy: -29.231789 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -4.190 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: 2, replica: 3 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -41.754971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.754971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.754971 (E_RNA) where: Base-Base interactions energy: -15.700 where: short stacking energy: -15.900 Base-Backbone interact. energy: -0.000 local terms energy: -26.054240 where: bonds (distance) C4'-P energy: -4.428 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -5.406 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: 3, replica: 4 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -33.460542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.460542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.460542 (E_RNA) where: Base-Base interactions energy: -8.355 where: short stacking energy: -8.355 Base-Backbone interact. energy: -0.164 local terms energy: -24.941163 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -5.097 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: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -36.898791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.898791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.898791 (E_RNA) where: Base-Base interactions energy: -11.648 where: short stacking energy: -11.648 Base-Backbone interact. energy: -0.044 local terms energy: -25.206164 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -32.422087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.422087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.422087 (E_RNA) where: Base-Base interactions energy: -12.091 where: short stacking energy: -12.091 Base-Backbone interact. energy: -0.018 local terms energy: -20.313015 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -4.386 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -32.699509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.699509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.699509 (E_RNA) where: Base-Base interactions energy: -6.123 where: short stacking energy: -6.123 Base-Backbone interact. energy: -0.085 local terms energy: -26.491048 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -3.423 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: 7, replica: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -27.640082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.640082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.640082 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.340 Base-Backbone interact. energy: -0.034 local terms energy: -19.985950 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -2.652 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: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -28.086638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.086638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.086638 (E_RNA) where: Base-Base interactions energy: -6.511 where: short stacking energy: -6.511 Base-Backbone interact. energy: -0.089 local terms energy: -21.486769 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -4.358 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: 9, replica: 10 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -33.734890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.734890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.734890 (E_RNA) where: Base-Base interactions energy: -9.566 where: short stacking energy: -9.566 Base-Backbone interact. energy: -0.002 local terms energy: -24.166875 where: bonds (distance) C4'-P energy: -4.767 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.453 flat angles P-C4'-P energy: -5.108 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: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -28.522201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.522201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.522201 (E_RNA) where: Base-Base interactions energy: -4.938 where: short stacking energy: -4.938 Base-Backbone interact. energy: -0.805 local terms energy: -22.779504 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -5.200 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: 1, replica: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -38.524164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.524164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.524164 (E_RNA) where: Base-Base interactions energy: -14.795 where: short stacking energy: -14.559 Base-Backbone interact. energy: 0.452 local terms energy: -24.180409 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -4.504 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: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -35.117428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.117428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.117428 (E_RNA) where: Base-Base interactions energy: -12.133 where: short stacking energy: -12.133 Base-Backbone interact. energy: -0.125 local terms energy: -22.859003 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -36.712221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.712221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.712221 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.008 local terms energy: -25.726955 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -5.322 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: 4, replica: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -33.204069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.204069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.204069 (E_RNA) where: Base-Base interactions energy: -7.272 where: short stacking energy: -6.859 Base-Backbone interact. energy: -0.127 local terms energy: -25.805263 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: 0.015 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: 5, replica: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -34.481718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.481718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.481718 (E_RNA) where: Base-Base interactions energy: -6.617 where: short stacking energy: -6.617 Base-Backbone interact. energy: -0.015 local terms energy: -27.849323 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -36.303947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.303947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.303947 (E_RNA) where: Base-Base interactions energy: -10.036 where: short stacking energy: -10.036 Base-Backbone interact. energy: -0.148 local terms energy: -26.120378 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -30.442278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.442278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.442278 (E_RNA) where: Base-Base interactions energy: -8.009 where: short stacking energy: -8.009 Base-Backbone interact. energy: -0.032 local terms energy: -22.401436 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: 0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -30.256318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.256318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.256318 (E_RNA) where: Base-Base interactions energy: -10.217 where: short stacking energy: -10.217 Base-Backbone interact. energy: -0.098 local terms energy: -19.941610 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -26.292555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.292555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.292555 (E_RNA) where: Base-Base interactions energy: -2.429 where: short stacking energy: -2.429 Base-Backbone interact. energy: -0.013 local terms energy: -23.850660 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -5.511 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: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -28.748476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.748476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.748476 (E_RNA) where: Base-Base interactions energy: -7.385 where: short stacking energy: -7.385 Base-Backbone interact. energy: -0.197 local terms energy: -21.167054 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -4.412 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -3.363 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: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -38.762436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.762436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.762436 (E_RNA) where: Base-Base interactions energy: -11.924 where: short stacking energy: -11.924 Base-Backbone interact. energy: -0.000 local terms energy: -26.837935 where: bonds (distance) C4'-P energy: -4.979 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -2.499 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: 4 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -38.499777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.499777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.499777 (E_RNA) where: Base-Base interactions energy: -11.944 where: short stacking energy: -11.944 Base-Backbone interact. energy: -0.000 local terms energy: -26.555576 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -3.287 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: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -33.669713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.669713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.669713 (E_RNA) where: Base-Base interactions energy: -11.847 where: short stacking energy: -9.969 Base-Backbone interact. energy: -0.098 local terms energy: -21.724624 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: 0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -31.671304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.671304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.671304 (E_RNA) where: Base-Base interactions energy: -10.294 where: short stacking energy: -10.294 Base-Backbone interact. energy: 0.984 local terms energy: -22.361674 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -3.201 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: 5, replica: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -36.940624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.940624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.940624 (E_RNA) where: Base-Base interactions energy: -12.439 where: short stacking energy: -12.439 Base-Backbone interact. energy: -0.098 local terms energy: -24.404163 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -5.525 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: 6, replica: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -30.387714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.387714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.387714 (E_RNA) where: Base-Base interactions energy: -8.634 where: short stacking energy: -8.634 Base-Backbone interact. energy: -0.021 local terms energy: -21.732718 where: bonds (distance) C4'-P energy: -4.564 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -3.543 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: 7, replica: 10 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -30.064142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.064142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.064142 (E_RNA) where: Base-Base interactions energy: -4.212 where: short stacking energy: -4.410 Base-Backbone interact. energy: 0.332 local terms energy: -26.184040 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -5.398 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: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -27.872474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.872474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.872474 (E_RNA) where: Base-Base interactions energy: -6.053 where: short stacking energy: -6.053 Base-Backbone interact. energy: -0.549 local terms energy: -21.270688 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.472 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: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -26.413009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.413009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.413009 (E_RNA) where: Base-Base interactions energy: -7.718 where: short stacking energy: -7.718 Base-Backbone interact. energy: -0.185 local terms energy: -18.510285 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: 3.877 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: 6 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -29.540424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.540424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.540424 (E_RNA) where: Base-Base interactions energy: -7.012 where: short stacking energy: -7.012 Base-Backbone interact. energy: -0.002 local terms energy: -22.526256 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -4.470 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: 433 Temperature: 0.900000 Total energy: -45.887258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.887258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.887258 (E_RNA) where: Base-Base interactions energy: -14.516 where: short stacking energy: -14.516 Base-Backbone interact. energy: -0.000 local terms energy: -31.371409 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -7.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -40.292126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.292126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.292126 (E_RNA) where: Base-Base interactions energy: -11.185 where: short stacking energy: -11.185 Base-Backbone interact. energy: -0.000 local terms energy: -29.107209 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -5.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -40.374315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.374315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.374315 (E_RNA) where: Base-Base interactions energy: -15.229 where: short stacking energy: -15.229 Base-Backbone interact. energy: -0.004 local terms energy: -25.141423 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -3.036 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: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -34.935948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.935948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.935948 (E_RNA) where: Base-Base interactions energy: -10.994 where: short stacking energy: -10.994 Base-Backbone interact. energy: -0.086 local terms energy: -23.856078 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -5.661 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: 5, replica: 3 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -31.130455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.130455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.130455 (E_RNA) where: Base-Base interactions energy: -7.718 where: short stacking energy: -7.718 Base-Backbone interact. energy: -0.009 local terms energy: -23.403720 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -2.006 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -32.569044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.569044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.569044 (E_RNA) where: Base-Base interactions energy: -7.804 where: short stacking energy: -8.251 Base-Backbone interact. energy: -0.005 local terms energy: -24.760579 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -3.254 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: 7, replica: 10 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -31.251619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.251619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.251619 (E_RNA) where: Base-Base interactions energy: -8.560 where: short stacking energy: -8.560 Base-Backbone interact. energy: -0.048 local terms energy: -22.643442 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -2.162 flat angles P-C4'-P energy: -5.238 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: 8, replica: 9 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -33.011716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.011716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.011716 (E_RNA) where: Base-Base interactions energy: -8.875 where: short stacking energy: -8.875 Base-Backbone interact. energy: -0.061 local terms energy: -24.075608 where: bonds (distance) C4'-P energy: -6.489 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: 1.470 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: 9, replica: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -30.483464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.483464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.483464 (E_RNA) where: Base-Base interactions energy: -8.695 where: short stacking energy: -8.695 Base-Backbone interact. energy: -0.150 local terms energy: -21.638646 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -3.651 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: 10, replica: 6 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -29.474037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.474037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.474037 (E_RNA) where: Base-Base interactions energy: -3.838 where: short stacking energy: -3.838 Base-Backbone interact. energy: -0.920 local terms energy: -24.716448 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -4.739 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: 1, replica: 2 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -40.087262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.087262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.087262 (E_RNA) where: Base-Base interactions energy: -12.229 where: short stacking energy: -12.229 Base-Backbone interact. energy: -0.003 local terms energy: -27.855778 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -43.936465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.936465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.936465 (E_RNA) where: Base-Base interactions energy: -13.298 where: short stacking energy: -13.298 Base-Backbone interact. energy: -0.038 local terms energy: -30.600377 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -36.451713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.451713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.451713 (E_RNA) where: Base-Base interactions energy: -13.115 where: short stacking energy: -13.115 Base-Backbone interact. energy: -0.000 local terms energy: -23.336741 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -3.650 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -3.970 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: 4, replica: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -36.857122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.857122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.857122 (E_RNA) where: Base-Base interactions energy: -12.518 where: short stacking energy: -12.518 Base-Backbone interact. energy: -0.080 local terms energy: -24.259003 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.243 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: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -33.627639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.627639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.627639 (E_RNA) where: Base-Base interactions energy: -11.779 where: short stacking energy: -11.779 Base-Backbone interact. energy: -0.000 local terms energy: -21.848137 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: 0.995 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -30.168199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.168199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.168199 (E_RNA) where: Base-Base interactions energy: -5.679 where: short stacking energy: -5.679 Base-Backbone interact. energy: -0.120 local terms energy: -24.368702 where: bonds (distance) C4'-P energy: -5.202 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.884 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: 7, replica: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -34.427068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.427068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.427068 (E_RNA) where: Base-Base interactions energy: -10.297 where: short stacking energy: -10.297 Base-Backbone interact. energy: 0.634 local terms energy: -24.763930 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -2.207 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: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -28.707261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.707261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.707261 (E_RNA) where: Base-Base interactions energy: -6.642 where: short stacking energy: -6.642 Base-Backbone interact. energy: -0.038 local terms energy: -22.027415 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -1.481 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -34.437311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.437311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.437311 (E_RNA) where: Base-Base interactions energy: -8.362 where: short stacking energy: -8.362 Base-Backbone interact. energy: -0.000 local terms energy: -26.074972 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -33.882022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.882022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.882022 (E_RNA) where: Base-Base interactions energy: -7.482 where: short stacking energy: -7.640 Base-Backbone interact. energy: -0.006 local terms energy: -26.394139 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.308 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: 2 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -40.658656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.658656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.658656 (E_RNA) where: Base-Base interactions energy: -15.212 where: short stacking energy: -15.212 Base-Backbone interact. energy: -0.013 local terms energy: -25.432971 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -4.439 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: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -39.706550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.706550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.706550 (E_RNA) where: Base-Base interactions energy: -11.887 where: short stacking energy: -11.887 Base-Backbone interact. energy: -0.000 local terms energy: -27.819786 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.637 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -3.832 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: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -37.881167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.881167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.881167 (E_RNA) where: Base-Base interactions energy: -11.436 where: short stacking energy: -11.436 Base-Backbone interact. energy: -0.000 local terms energy: -26.444994 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -4.178 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: 4, replica: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -42.461816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.461816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.461816 (E_RNA) where: Base-Base interactions energy: -14.044 where: short stacking energy: -14.044 Base-Backbone interact. energy: -0.124 local terms energy: -28.293723 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -4.690 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: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -33.435273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.435273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.435273 (E_RNA) where: Base-Base interactions energy: -8.268 where: short stacking energy: -8.268 Base-Backbone interact. energy: -0.067 local terms energy: -25.099408 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -31.085885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.085885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.085885 (E_RNA) where: Base-Base interactions energy: -5.411 where: short stacking energy: -5.411 Base-Backbone interact. energy: -0.088 local terms energy: -25.586586 where: bonds (distance) C4'-P energy: -5.214 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -5.709 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: 7, replica: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -30.487549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.487549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.487549 (E_RNA) where: Base-Base interactions energy: -6.921 where: short stacking energy: -6.921 Base-Backbone interact. energy: -0.003 local terms energy: -23.563323 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.823 flat angles P-C4'-P energy: -4.214 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: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -33.346508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.346508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.346508 (E_RNA) where: Base-Base interactions energy: -9.162 where: short stacking energy: -9.162 Base-Backbone interact. energy: -0.000 local terms energy: -24.184580 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -2.489 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -7.192 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: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -31.949902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.949902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.949902 (E_RNA) where: Base-Base interactions energy: -8.393 where: short stacking energy: -8.393 Base-Backbone interact. energy: -0.033 local terms energy: -23.523842 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -28.720490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.720490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.720490 (E_RNA) where: Base-Base interactions energy: -6.502 where: short stacking energy: -6.502 Base-Backbone interact. energy: -0.000 local terms energy: -22.218231 where: bonds (distance) C4'-P energy: -4.266 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -46.189675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.189675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.189675 (E_RNA) where: Base-Base interactions energy: -14.069 where: short stacking energy: -14.069 Base-Backbone interact. energy: -0.000 local terms energy: -32.120956 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -42.872019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.872019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.872019 (E_RNA) where: Base-Base interactions energy: -15.248 where: short stacking energy: -15.248 Base-Backbone interact. energy: -0.013 local terms energy: -27.611405 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -4.651 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: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -36.952760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.952760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.952760 (E_RNA) where: Base-Base interactions energy: -10.170 where: short stacking energy: -10.170 Base-Backbone interact. energy: -0.000 local terms energy: -26.782829 where: bonds (distance) C4'-P energy: -2.507 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -4.498 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: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -35.676404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.676404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.676404 (E_RNA) where: Base-Base interactions energy: -12.166 where: short stacking energy: -12.166 Base-Backbone interact. energy: -0.070 local terms energy: -23.441011 where: bonds (distance) C4'-P energy: -3.426 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -5.339 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: 5, replica: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -29.516945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.516945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.516945 (E_RNA) where: Base-Base interactions energy: -6.644 where: short stacking energy: -6.644 Base-Backbone interact. energy: 0.413 local terms energy: -23.286413 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -30.237888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.237888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.237888 (E_RNA) where: Base-Base interactions energy: -6.482 where: short stacking energy: -6.482 Base-Backbone interact. energy: 0.958 local terms energy: -24.713991 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -4.336 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: 7, replica: 6 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -30.902285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.902285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.902285 (E_RNA) where: Base-Base interactions energy: -9.503 where: short stacking energy: -9.503 Base-Backbone interact. energy: -0.024 local terms energy: -21.374887 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -1.645 tors. eta vs tors. theta energy: -0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -28.905156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.905156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.905156 (E_RNA) where: Base-Base interactions energy: -10.663 where: short stacking energy: -10.663 Base-Backbone interact. energy: -0.000 local terms energy: -18.242015 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.140 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -2.664 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: 9, replica: 1 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -30.572303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.572303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.572303 (E_RNA) where: Base-Base interactions energy: -6.208 where: short stacking energy: -6.208 Base-Backbone interact. energy: -0.010 local terms energy: -24.354876 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -27.846797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.846797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.846797 (E_RNA) where: Base-Base interactions energy: -7.568 where: short stacking energy: -7.568 Base-Backbone interact. energy: -0.058 local terms energy: -20.221069 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -4.139 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -4.331 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: 1, replica: 2 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -40.343818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.343818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.343818 (E_RNA) where: Base-Base interactions energy: -13.572 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.022 local terms energy: -26.749853 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -39.499618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.499618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.499618 (E_RNA) where: Base-Base interactions energy: -13.249 where: short stacking energy: -13.249 Base-Backbone interact. energy: -0.000 local terms energy: -26.250919 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -3.847 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -34.218483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.218483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.218483 (E_RNA) where: Base-Base interactions energy: -12.096 where: short stacking energy: -12.096 Base-Backbone interact. energy: -0.000 local terms energy: -22.121897 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.717 flat angles P-C4'-P energy: -3.400 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: 4, replica: 5 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -40.724311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.724311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.724311 (E_RNA) where: Base-Base interactions energy: -12.316 where: short stacking energy: -12.316 Base-Backbone interact. energy: -0.000 local terms energy: -28.408350 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -4.904 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: 9 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -34.093758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.093758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.093758 (E_RNA) where: Base-Base interactions energy: -7.709 where: short stacking energy: -7.709 Base-Backbone interact. energy: -0.001 local terms energy: -26.383968 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -4.995 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: 6, replica: 6 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -34.351051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.351051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.351051 (E_RNA) where: Base-Base interactions energy: -7.214 where: short stacking energy: -7.314 Base-Backbone interact. energy: -0.950 local terms energy: -26.186521 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -0.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -29.043945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.043945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.043945 (E_RNA) where: Base-Base interactions energy: -8.400 where: short stacking energy: -8.400 Base-Backbone interact. energy: -0.081 local terms energy: -20.562294 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -30.700098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.700098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.700098 (E_RNA) where: Base-Base interactions energy: -7.282 where: short stacking energy: -7.282 Base-Backbone interact. energy: -0.821 local terms energy: -22.596653 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -4.548 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: 0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -29.350606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.350606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.350606 (E_RNA) where: Base-Base interactions energy: -6.610 where: short stacking energy: -6.610 Base-Backbone interact. energy: -0.090 local terms energy: -22.651151 where: bonds (distance) C4'-P energy: -4.606 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -3.713 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: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -27.134413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.134413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.134413 (E_RNA) where: Base-Base interactions energy: -5.051 where: short stacking energy: -5.051 Base-Backbone interact. energy: -0.044 local terms energy: -22.039603 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -2.668 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: 2 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -47.093273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.093273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.093273 (E_RNA) where: Base-Base interactions energy: -16.007 where: short stacking energy: -16.007 Base-Backbone interact. energy: -0.006 local terms energy: -31.080656 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -6.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -35.213707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.213707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.213707 (E_RNA) where: Base-Base interactions energy: -11.270 where: short stacking energy: -11.270 Base-Backbone interact. energy: -0.005 local terms energy: -23.939178 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -2.589 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: 3, replica: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -34.353843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.353843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.353843 (E_RNA) where: Base-Base interactions energy: -10.750 where: short stacking energy: -10.750 Base-Backbone interact. energy: -0.004 local terms energy: -23.599112 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -35.466293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.466293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.466293 (E_RNA) where: Base-Base interactions energy: -10.177 where: short stacking energy: -10.177 Base-Backbone interact. energy: -0.014 local terms energy: -25.276131 where: bonds (distance) C4'-P energy: -5.041 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -4.327 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: 5, replica: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -32.483339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.483339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.483339 (E_RNA) where: Base-Base interactions energy: -6.542 where: short stacking energy: -6.542 Base-Backbone interact. energy: -0.003 local terms energy: -25.938248 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -4.307 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: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -42.645479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.645479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.645479 (E_RNA) where: Base-Base interactions energy: -15.186 where: short stacking energy: -15.186 Base-Backbone interact. energy: -0.097 local terms energy: -27.362904 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -31.398847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.398847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.398847 (E_RNA) where: Base-Base interactions energy: -7.544 where: short stacking energy: -7.544 Base-Backbone interact. energy: -0.097 local terms energy: -23.758476 where: bonds (distance) C4'-P energy: -4.597 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -30.186276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.186276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.186276 (E_RNA) where: Base-Base interactions energy: -5.956 where: short stacking energy: -5.956 Base-Backbone interact. energy: -0.082 local terms energy: -24.148139 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -29.012647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.012647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.012647 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -5.567 Base-Backbone interact. energy: -0.088 local terms energy: -21.655910 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -28.546520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.546520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.546520 (E_RNA) where: Base-Base interactions energy: -3.908 where: short stacking energy: -3.908 Base-Backbone interact. energy: -0.019 local terms energy: -24.619036 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -4.257 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: 1, replica: 2 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -37.071713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.071713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.071713 (E_RNA) where: Base-Base interactions energy: -9.048 where: short stacking energy: -9.048 Base-Backbone interact. energy: -0.090 local terms energy: -27.932939 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -5.174 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: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -36.407956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.407956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.407956 (E_RNA) where: Base-Base interactions energy: -12.137 where: short stacking energy: -12.137 Base-Backbone interact. energy: -0.026 local terms energy: -24.245477 where: bonds (distance) C4'-P energy: -3.239 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -5.243 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: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -36.823879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.823879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.823879 (E_RNA) where: Base-Base interactions energy: -9.691 where: short stacking energy: -9.691 Base-Backbone interact. energy: -0.000 local terms energy: -27.133285 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -6.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -41.695142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.695142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.695142 (E_RNA) where: Base-Base interactions energy: -13.417 where: short stacking energy: -13.417 Base-Backbone interact. energy: -1.054 local terms energy: -27.224933 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -5.063 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: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -30.555475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.555475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.555475 (E_RNA) where: Base-Base interactions energy: -8.185 where: short stacking energy: -8.185 Base-Backbone interact. energy: 0.157 local terms energy: -22.527597 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -3.123 flat angles P-C4'-P energy: -4.594 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: 6, replica: 3 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -36.478276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.478276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.478276 (E_RNA) where: Base-Base interactions energy: -11.467 where: short stacking energy: -11.467 Base-Backbone interact. energy: -0.044 local terms energy: -24.967099 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -2.302 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: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -31.478066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.478066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.478066 (E_RNA) where: Base-Base interactions energy: -7.067 where: short stacking energy: -7.067 Base-Backbone interact. energy: -0.000 local terms energy: -24.410606 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -3.737 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: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -30.882609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.882609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.882609 (E_RNA) where: Base-Base interactions energy: -5.834 where: short stacking energy: -5.834 Base-Backbone interact. energy: -0.001 local terms energy: -25.047896 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -6.090 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: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -31.366577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.366577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.366577 (E_RNA) where: Base-Base interactions energy: -9.844 where: short stacking energy: -9.844 Base-Backbone interact. energy: -0.073 local terms energy: -21.449764 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -5.345 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -2.752 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: 10, replica: 1 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -33.449119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.449119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.449119 (E_RNA) where: Base-Base interactions energy: -11.873 where: short stacking energy: -11.873 Base-Backbone interact. energy: -0.006 local terms energy: -21.570619 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -3.175 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: 440 Temperature: 0.900000 Total energy: -40.134054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.134054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.134054 (E_RNA) where: Base-Base interactions energy: -12.682 where: short stacking energy: -12.682 Base-Backbone interact. energy: -0.005 local terms energy: -27.447282 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -2.236 tors. eta vs tors. theta energy: -4.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -35.103617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.103617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.103617 (E_RNA) where: Base-Base interactions energy: -7.788 where: short stacking energy: -7.788 Base-Backbone interact. energy: -0.000 local terms energy: -27.315477 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -34.725342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.725342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.725342 (E_RNA) where: Base-Base interactions energy: -10.149 where: short stacking energy: -10.149 Base-Backbone interact. energy: -0.001 local terms energy: -24.575759 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.055 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -33.147796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.147796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.147796 (E_RNA) where: Base-Base interactions energy: -7.969 where: short stacking energy: -7.969 Base-Backbone interact. energy: 0.030 local terms energy: -25.208763 where: bonds (distance) C4'-P energy: -3.695 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -5.375 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: 5, replica: 3 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -33.299531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.299531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.299531 (E_RNA) where: Base-Base interactions energy: -7.184 where: short stacking energy: -7.184 Base-Backbone interact. energy: -0.535 local terms energy: -25.580565 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -33.864318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.864318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.864318 (E_RNA) where: Base-Base interactions energy: -10.256 where: short stacking energy: -10.256 Base-Backbone interact. energy: -0.005 local terms energy: -23.603019 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -0.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -34.133182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.133182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.133182 (E_RNA) where: Base-Base interactions energy: -10.839 where: short stacking energy: -10.839 Base-Backbone interact. energy: -0.000 local terms energy: -23.293601 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -2.308 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: 8, replica: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -34.231380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.231380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.231380 (E_RNA) where: Base-Base interactions energy: -7.884 where: short stacking energy: -7.884 Base-Backbone interact. energy: -0.003 local terms energy: -26.344612 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -6.273 tors. eta vs tors. theta energy: -2.089 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: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -27.218604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.218604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.218604 (E_RNA) where: Base-Base interactions energy: -6.918 where: short stacking energy: -6.918 Base-Backbone interact. energy: -0.071 local terms energy: -20.229825 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -2.639 flat angles C4'-P-C4' energy: -3.300 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -25.989368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.989368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.989368 (E_RNA) where: Base-Base interactions energy: -6.353 where: short stacking energy: -4.250 Base-Backbone interact. energy: 0.477 local terms energy: -20.113370 where: bonds (distance) C4'-P energy: -2.222 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -43.297038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.297038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.297038 (E_RNA) where: Base-Base interactions energy: -16.363 where: short stacking energy: -16.363 Base-Backbone interact. energy: -0.000 local terms energy: -26.934141 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -39.276424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.276424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.276424 (E_RNA) where: Base-Base interactions energy: -14.973 where: short stacking energy: -14.973 Base-Backbone interact. energy: -0.000 local terms energy: -24.302873 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -33.540758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.540758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.540758 (E_RNA) where: Base-Base interactions energy: -5.838 where: short stacking energy: -5.838 Base-Backbone interact. energy: -0.000 local terms energy: -27.702170 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -31.749459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.749459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.749459 (E_RNA) where: Base-Base interactions energy: -10.510 where: short stacking energy: -10.510 Base-Backbone interact. energy: -0.010 local terms energy: -21.229158 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -5.337 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: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -32.357330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.357330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.357330 (E_RNA) where: Base-Base interactions energy: -8.394 where: short stacking energy: -8.394 Base-Backbone interact. energy: -0.651 local terms energy: -23.312797 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -5.433 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: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -35.552429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.552429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.552429 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.104 local terms energy: -25.175451 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -32.891917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.891917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.891917 (E_RNA) where: Base-Base interactions energy: -7.052 where: short stacking energy: -7.052 Base-Backbone interact. energy: -0.740 local terms energy: -25.099621 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.353 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: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -33.493088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.493088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.493088 (E_RNA) where: Base-Base interactions energy: -11.549 where: short stacking energy: -11.549 Base-Backbone interact. energy: -0.005 local terms energy: -21.939511 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.465 flat angles P-C4'-P energy: -5.057 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: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -30.228052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.228052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.228052 (E_RNA) where: Base-Base interactions energy: -3.781 where: short stacking energy: -3.781 Base-Backbone interact. energy: -0.037 local terms energy: -26.410593 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -5.289 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: 10, replica: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -30.437787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.437787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.437787 (E_RNA) where: Base-Base interactions energy: -8.138 where: short stacking energy: -8.138 Base-Backbone interact. energy: -0.208 local terms energy: -22.091665 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -4.891 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: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -43.815265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.815265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.815265 (E_RNA) where: Base-Base interactions energy: -14.054 where: short stacking energy: -14.054 Base-Backbone interact. energy: -0.004 local terms energy: -29.757180 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -4.952 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: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -33.318107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.318107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.318107 (E_RNA) where: Base-Base interactions energy: -9.405 where: short stacking energy: -9.405 Base-Backbone interact. energy: -1.068 local terms energy: -22.845681 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -0.653 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: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -40.469750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.469750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.469750 (E_RNA) where: Base-Base interactions energy: -9.671 where: short stacking energy: -9.671 Base-Backbone interact. energy: -0.000 local terms energy: -30.798091 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -5.655 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: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -35.684207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.684207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.684207 (E_RNA) where: Base-Base interactions energy: -9.436 where: short stacking energy: -9.436 Base-Backbone interact. energy: -0.005 local terms energy: -26.243075 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -4.621 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: 442 Temperature: 1.100000 Total energy: -37.888897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.888897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.888897 (E_RNA) where: Base-Base interactions energy: -14.168 where: short stacking energy: -14.168 Base-Backbone interact. energy: -0.107 local terms energy: -23.614370 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -37.127123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.127123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.127123 (E_RNA) where: Base-Base interactions energy: -9.551 where: short stacking energy: -9.551 Base-Backbone interact. energy: -0.004 local terms energy: -27.571867 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -4.442 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: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -30.747796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.747796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.747796 (E_RNA) where: Base-Base interactions energy: -6.916 where: short stacking energy: -7.516 Base-Backbone interact. energy: -0.168 local terms energy: -23.664085 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -5.484 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: 8, replica: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -32.304413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.304413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.304413 (E_RNA) where: Base-Base interactions energy: -10.741 where: short stacking energy: -11.092 Base-Backbone interact. energy: -0.000 local terms energy: -21.563256 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -1.117 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: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -29.239874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.239874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.239874 (E_RNA) where: Base-Base interactions energy: -6.451 where: short stacking energy: -6.451 Base-Backbone interact. energy: -0.002 local terms energy: -22.787421 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -5.210 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -4.202 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: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -35.872613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.872613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.872613 (E_RNA) where: Base-Base interactions energy: -11.174 where: short stacking energy: -11.174 Base-Backbone interact. energy: -0.012 local terms energy: -24.685939 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -5.152 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: 1, replica: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -36.699101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.699101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.699101 (E_RNA) where: Base-Base interactions energy: -12.590 where: short stacking energy: -12.590 Base-Backbone interact. energy: -0.000 local terms energy: -24.109370 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -3.363 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: 2, replica: 3 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -38.341450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.341450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.341450 (E_RNA) where: Base-Base interactions energy: -11.422 where: short stacking energy: -11.422 Base-Backbone interact. energy: -0.610 local terms energy: -26.309489 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -3.684 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: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -35.489808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.489808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.489808 (E_RNA) where: Base-Base interactions energy: -6.273 where: short stacking energy: -6.273 Base-Backbone interact. energy: -0.000 local terms energy: -29.216410 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -5.368 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: 443 Temperature: 1.050000 Total energy: -36.448141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.448141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.448141 (E_RNA) where: Base-Base interactions energy: -9.240 where: short stacking energy: -9.240 Base-Backbone interact. energy: -0.000 local terms energy: -27.208183 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.790 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: 5, replica: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -33.493660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.493660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.493660 (E_RNA) where: Base-Base interactions energy: -7.597 where: short stacking energy: -7.597 Base-Backbone interact. energy: -0.096 local terms energy: -25.800490 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -2.361 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: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -36.223210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.223210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.223210 (E_RNA) where: Base-Base interactions energy: -11.967 where: short stacking energy: -11.967 Base-Backbone interact. energy: -0.000 local terms energy: -24.256274 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -1.116 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -33.313997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.313997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.313997 (E_RNA) where: Base-Base interactions energy: -10.731 where: short stacking energy: -10.731 Base-Backbone interact. energy: -0.033 local terms energy: -22.549471 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -1.873 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: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -31.346791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.346791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.346791 (E_RNA) where: Base-Base interactions energy: -6.188 where: short stacking energy: -6.188 Base-Backbone interact. energy: -0.018 local terms energy: -25.140176 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -28.687083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.687083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.687083 (E_RNA) where: Base-Base interactions energy: -2.179 where: short stacking energy: -2.069 Base-Backbone interact. energy: -1.140 local terms energy: -25.368097 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: 0.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -27.133697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.133697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.133697 (E_RNA) where: Base-Base interactions energy: -3.645 where: short stacking energy: -3.645 Base-Backbone interact. energy: -0.046 local terms energy: -23.441889 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -38.267310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.267310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.267310 (E_RNA) where: Base-Base interactions energy: -10.625 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.005 local terms energy: -27.637115 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -4.975 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: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -43.875553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.875553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.875553 (E_RNA) where: Base-Base interactions energy: -13.885 where: short stacking energy: -13.885 Base-Backbone interact. energy: -0.000 local terms energy: -29.989947 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -3.837 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: 4 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -41.970757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.970757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.970757 (E_RNA) where: Base-Base interactions energy: -14.095 where: short stacking energy: -14.095 Base-Backbone interact. energy: -0.001 local terms energy: -27.875223 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -2.985 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -7.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -37.270277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.270277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.270277 (E_RNA) where: Base-Base interactions energy: -11.331 where: short stacking energy: -11.331 Base-Backbone interact. energy: -0.084 local terms energy: -25.855445 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -4.203 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: 5, replica: 1 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -34.807298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.807298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.807298 (E_RNA) where: Base-Base interactions energy: -7.274 where: short stacking energy: -7.274 Base-Backbone interact. energy: -0.077 local terms energy: -27.456012 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -4.356 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: 2 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -31.609371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.609371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.609371 (E_RNA) where: Base-Base interactions energy: -7.464 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.020 local terms energy: -24.124949 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -4.655 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: 7, replica: 7 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -38.511244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.511244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.511244 (E_RNA) where: Base-Base interactions energy: -11.044 where: short stacking energy: -11.044 Base-Backbone interact. energy: -0.001 local terms energy: -27.466045 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -30.026959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.026959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.026959 (E_RNA) where: Base-Base interactions energy: -11.999 where: short stacking energy: -11.999 Base-Backbone interact. energy: -0.001 local terms energy: -18.027569 where: bonds (distance) C4'-P energy: -4.498 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -3.826 flat angles P-C4'-P energy: -3.876 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: 9, replica: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -31.140996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.140996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.140996 (E_RNA) where: Base-Base interactions energy: -8.772 where: short stacking energy: -8.772 Base-Backbone interact. energy: -0.001 local terms energy: -22.368229 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -2.568 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: 444 Temperature: 1.350000 Total energy: -29.398293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.398293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.398293 (E_RNA) where: Base-Base interactions energy: -5.529 where: short stacking energy: -5.529 Base-Backbone interact. energy: -0.029 local terms energy: -23.840724 where: bonds (distance) C4'-P energy: -5.554 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -1.721 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -38.054654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.054654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.054654 (E_RNA) where: Base-Base interactions energy: -10.867 where: short stacking energy: -10.867 Base-Backbone interact. energy: -0.061 local terms energy: -27.126974 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.287 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: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -43.004061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.004061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.004061 (E_RNA) where: Base-Base interactions energy: -14.539 where: short stacking energy: -14.539 Base-Backbone interact. energy: -0.000 local terms energy: -28.465164 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -3.028 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -37.001739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.001739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.001739 (E_RNA) where: Base-Base interactions energy: -12.135 where: short stacking energy: -10.404 Base-Backbone interact. energy: -0.037 local terms energy: -24.829775 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -5.269 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -32.894126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.894126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.894126 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -1.185 local terms energy: -24.199232 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -3.579 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: 5, replica: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -32.290540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.290540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.290540 (E_RNA) where: Base-Base interactions energy: -7.382 where: short stacking energy: -7.382 Base-Backbone interact. energy: -0.047 local terms energy: -24.861120 where: bonds (distance) C4'-P energy: -4.465 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -4.559 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: 6, replica: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -27.751459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.751459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.751459 (E_RNA) where: Base-Base interactions energy: -5.536 where: short stacking energy: -5.536 Base-Backbone interact. energy: -0.103 local terms energy: -22.112022 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -4.843 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: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -30.579268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.579268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.579268 (E_RNA) where: Base-Base interactions energy: -9.008 where: short stacking energy: -8.003 Base-Backbone interact. energy: -0.002 local terms energy: -21.569026 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -5.106 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -2.449 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: 8, replica: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -35.854048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.854048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.854048 (E_RNA) where: Base-Base interactions energy: -12.041 where: short stacking energy: -10.614 Base-Backbone interact. energy: -0.002 local terms energy: -23.810500 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -27.782597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.782597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.782597 (E_RNA) where: Base-Base interactions energy: -7.465 where: short stacking energy: -7.465 Base-Backbone interact. energy: -1.144 local terms energy: -19.172893 where: bonds (distance) C4'-P energy: -5.931 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -4.008 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: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -29.321378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.321378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.321378 (E_RNA) where: Base-Base interactions energy: -5.409 where: short stacking energy: -5.409 Base-Backbone interact. energy: -0.006 local terms energy: -23.907337 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -4.008 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: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -42.264617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.264617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.264617 (E_RNA) where: Base-Base interactions energy: -14.810 where: short stacking energy: -14.810 Base-Backbone interact. energy: -0.002 local terms energy: -27.452060 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -37.108444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.108444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.108444 (E_RNA) where: Base-Base interactions energy: -11.796 where: short stacking energy: -11.796 Base-Backbone interact. energy: -0.003 local terms energy: -25.309081 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -43.547295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.547295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.547295 (E_RNA) where: Base-Base interactions energy: -14.598 where: short stacking energy: -14.598 Base-Backbone interact. energy: -0.000 local terms energy: -28.949404 where: bonds (distance) C4'-P energy: -6.005 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -5.354 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: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -33.495889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.495889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.495889 (E_RNA) where: Base-Base interactions energy: -11.892 where: short stacking energy: -11.892 Base-Backbone interact. energy: -0.220 local terms energy: -21.384385 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -2.729 flat angles P-C4'-P energy: -5.694 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: 5, replica: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -37.325144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.325144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.325144 (E_RNA) where: Base-Base interactions energy: -11.579 where: short stacking energy: -11.579 Base-Backbone interact. energy: -0.094 local terms energy: -25.652003 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -33.911065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.911065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.911065 (E_RNA) where: Base-Base interactions energy: -9.939 where: short stacking energy: -9.939 Base-Backbone interact. energy: -0.000 local terms energy: -23.971782 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.560 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: 7, replica: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -28.608845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.608845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.608845 (E_RNA) where: Base-Base interactions energy: -6.263 where: short stacking energy: -4.679 Base-Backbone interact. energy: -0.119 local terms energy: -22.226410 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: 0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -29.673181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.673181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.673181 (E_RNA) where: Base-Base interactions energy: -4.152 where: short stacking energy: -4.152 Base-Backbone interact. energy: 0.173 local terms energy: -25.694403 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -4.988 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: 9, replica: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -31.029082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.029082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.029082 (E_RNA) where: Base-Base interactions energy: -4.631 where: short stacking energy: -4.631 Base-Backbone interact. energy: -0.000 local terms energy: -26.397430 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -29.182939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.182939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.182939 (E_RNA) where: Base-Base interactions energy: -7.726 where: short stacking energy: -7.726 Base-Backbone interact. energy: -0.247 local terms energy: -21.210263 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -2.548 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: 1, replica: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -41.345926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.345926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.345926 (E_RNA) where: Base-Base interactions energy: -12.137 where: short stacking energy: -12.137 Base-Backbone interact. energy: -0.000 local terms energy: -29.208662 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -1.061 tors. eta vs tors. theta energy: -8.533 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: 2, replica: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -39.109048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.109048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.109048 (E_RNA) where: Base-Base interactions energy: -12.106 where: short stacking energy: -12.106 Base-Backbone interact. energy: -0.014 local terms energy: -26.989420 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.553 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -3.166 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: 3, replica: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -40.173111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.173111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.173111 (E_RNA) where: Base-Base interactions energy: -16.510 where: short stacking energy: -14.746 Base-Backbone interact. energy: -0.067 local terms energy: -23.596372 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -3.262 flat angles P-C4'-P energy: -3.701 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: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -37.227933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.227933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.227933 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.753 Base-Backbone interact. energy: -0.099 local terms energy: -29.308647 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -37.486957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.486957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.486957 (E_RNA) where: Base-Base interactions energy: -14.275 where: short stacking energy: -14.275 Base-Backbone interact. energy: -0.003 local terms energy: -23.208690 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -2.555 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: 6, replica: 9 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -29.268373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.268373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.268373 (E_RNA) where: Base-Base interactions energy: -7.236 where: short stacking energy: -7.236 Base-Backbone interact. energy: -0.039 local terms energy: -21.994025 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: 0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -32.424933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.424933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.424933 (E_RNA) where: Base-Base interactions energy: -6.669 where: short stacking energy: -6.669 Base-Backbone interact. energy: -0.104 local terms energy: -25.651793 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.609 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: 8, replica: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -30.381842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.381842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.381842 (E_RNA) where: Base-Base interactions energy: -8.262 where: short stacking energy: -8.262 Base-Backbone interact. energy: -0.087 local terms energy: -22.033454 where: bonds (distance) C4'-P energy: -3.409 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -2.980 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: 2 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -26.894667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.894667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.894667 (E_RNA) where: Base-Base interactions energy: -4.608 where: short stacking energy: -4.608 Base-Backbone interact. energy: -0.079 local terms energy: -22.207619 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -4.040 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: 10, replica: 8 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -25.944189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.944189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.944189 (E_RNA) where: Base-Base interactions energy: -3.480 where: short stacking energy: -3.480 Base-Backbone interact. energy: -0.167 local terms energy: -22.297897 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: 0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -39.982101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.982101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.982101 (E_RNA) where: Base-Base interactions energy: -12.135 where: short stacking energy: -12.135 Base-Backbone interact. energy: -0.000 local terms energy: -27.846727 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -4.883 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: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -43.929825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.929825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.929825 (E_RNA) where: Base-Base interactions energy: -14.461 where: short stacking energy: -14.461 Base-Backbone interact. energy: -0.000 local terms energy: -29.469204 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -7.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -34.782359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.782359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.782359 (E_RNA) where: Base-Base interactions energy: -10.439 where: short stacking energy: -10.439 Base-Backbone interact. energy: -0.013 local terms energy: -24.330944 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.761 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -3.610 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: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -38.459274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.459274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.459274 (E_RNA) where: Base-Base interactions energy: -11.255 where: short stacking energy: -11.255 Base-Backbone interact. energy: -0.000 local terms energy: -27.203809 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -4.189 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: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -31.489602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.489602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.489602 (E_RNA) where: Base-Base interactions energy: -6.327 where: short stacking energy: -6.327 Base-Backbone interact. energy: -0.107 local terms energy: -25.055766 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -5.251 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: 6, replica: 5 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -30.728869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.728869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.728869 (E_RNA) where: Base-Base interactions energy: -6.288 where: short stacking energy: -6.288 Base-Backbone interact. energy: -0.001 local terms energy: -24.439934 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -5.032 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: 7, replica: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -33.631425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.631425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.631425 (E_RNA) where: Base-Base interactions energy: -7.601 where: short stacking energy: -7.601 Base-Backbone interact. energy: -0.000 local terms energy: -26.030485 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -2.835 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: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -28.719583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.719583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.719583 (E_RNA) where: Base-Base interactions energy: -5.379 where: short stacking energy: -5.379 Base-Backbone interact. energy: -0.021 local terms energy: -23.319467 where: bonds (distance) C4'-P energy: -4.526 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -28.817513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.817513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.817513 (E_RNA) where: Base-Base interactions energy: -5.697 where: short stacking energy: -5.959 Base-Backbone interact. energy: -0.112 local terms energy: -23.009000 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: 1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -30.821904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.821904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.821904 (E_RNA) where: Base-Base interactions energy: -9.424 where: short stacking energy: -9.424 Base-Backbone interact. energy: -0.002 local terms energy: -21.395974 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -2.433 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -39.834058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.834058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.834058 (E_RNA) where: Base-Base interactions energy: -13.656 where: short stacking energy: -13.656 Base-Backbone interact. energy: -0.057 local terms energy: -26.121546 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -3.295 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: 2, replica: 7 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -37.562132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.562132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.562132 (E_RNA) where: Base-Base interactions energy: -11.974 where: short stacking energy: -11.974 Base-Backbone interact. energy: -0.005 local terms energy: -25.583217 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.719 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -5.084 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: 4 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -39.161041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.161041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.161041 (E_RNA) where: Base-Base interactions energy: -16.318 where: short stacking energy: -16.318 Base-Backbone interact. energy: -0.006 local terms energy: -22.836954 where: bonds (distance) C4'-P energy: -4.569 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -5.042 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: 449 Temperature: 1.050000 Total energy: -35.440931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.440931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.440931 (E_RNA) where: Base-Base interactions energy: -11.964 where: short stacking energy: -11.964 Base-Backbone interact. energy: -0.001 local terms energy: -23.475833 where: bonds (distance) C4'-P energy: -5.177 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -5.586 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: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -33.959767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.959767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.959767 (E_RNA) where: Base-Base interactions energy: -6.656 where: short stacking energy: -6.656 Base-Backbone interact. energy: -0.009 local terms energy: -27.294234 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -3.857 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: 6, replica: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -30.974141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.974141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.974141 (E_RNA) where: Base-Base interactions energy: -7.911 where: short stacking energy: -7.911 Base-Backbone interact. energy: -0.028 local terms energy: -23.034887 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: 0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -30.005892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.005892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.005892 (E_RNA) where: Base-Base interactions energy: -5.132 where: short stacking energy: -5.132 Base-Backbone interact. energy: -0.210 local terms energy: -24.663648 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -5.804 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: 8, replica: 8 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -29.342188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.342188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.342188 (E_RNA) where: Base-Base interactions energy: -4.492 where: short stacking energy: -4.492 Base-Backbone interact. energy: -0.150 local terms energy: -24.700688 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: 3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -28.388219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.388219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.388219 (E_RNA) where: Base-Base interactions energy: -10.228 where: short stacking energy: -10.228 Base-Backbone interact. energy: -0.086 local terms energy: -18.073951 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -2.261 flat angles P-C4'-P energy: -3.157 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: 10, replica: 2 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -27.998782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.998782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.998782 (E_RNA) where: Base-Base interactions energy: -10.062 where: short stacking energy: -8.569 Base-Backbone interact. energy: -0.085 local terms energy: -17.851899 where: bonds (distance) C4'-P energy: -3.073 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -2.467 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: 1, replica: 7 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -41.836610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.836610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.836610 (E_RNA) where: Base-Base interactions energy: -13.826 where: short stacking energy: -13.826 Base-Backbone interact. energy: -0.023 local terms energy: -27.987872 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -34.793790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.793790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.793790 (E_RNA) where: Base-Base interactions energy: -7.530 where: short stacking energy: -7.530 Base-Backbone interact. energy: -0.092 local terms energy: -27.172298 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -37.033947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.033947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.033947 (E_RNA) where: Base-Base interactions energy: -9.187 where: short stacking energy: -9.187 Base-Backbone interact. energy: -0.000 local terms energy: -27.846798 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -5.535 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: 4, replica: 4 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -31.587818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.587818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.587818 (E_RNA) where: Base-Base interactions energy: -7.246 where: short stacking energy: -7.246 Base-Backbone interact. energy: -0.196 local terms energy: -24.146029 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -4.926 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -2.102 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: 10 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -37.221420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.221420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.221420 (E_RNA) where: Base-Base interactions energy: -9.243 where: short stacking energy: -9.243 Base-Backbone interact. energy: -0.018 local terms energy: -27.960307 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.413 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: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -30.323259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.323259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.323259 (E_RNA) where: Base-Base interactions energy: -2.836 where: short stacking energy: -2.836 Base-Backbone interact. energy: -0.007 local terms energy: -27.480817 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -30.673154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.673154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.673154 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.000 local terms energy: -23.404552 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -28.871805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.871805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.871805 (E_RNA) where: Base-Base interactions energy: -4.161 where: short stacking energy: -4.161 Base-Backbone interact. energy: -0.076 local terms energy: -24.634642 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -5.803 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: 9, replica: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -31.373549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.373549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.373549 (E_RNA) where: Base-Base interactions energy: -8.004 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.005 local terms energy: -23.365047 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -4.076 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: 10, replica: 6 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -26.505819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.505819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.505819 (E_RNA) where: Base-Base interactions energy: -3.932 where: short stacking energy: -3.932 Base-Backbone interact. energy: -0.095 local terms energy: -22.479679 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.161 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: 1, replica: 7 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -40.458609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.458609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.458609 (E_RNA) where: Base-Base interactions energy: -12.529 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.000 local terms energy: -27.929347 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -38.738271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.738271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.738271 (E_RNA) where: Base-Base interactions energy: -11.329 where: short stacking energy: -11.329 Base-Backbone interact. energy: -0.000 local terms energy: -27.408967 where: bonds (distance) C4'-P energy: -4.917 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -6.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -37.898044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.898044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.898044 (E_RNA) where: Base-Base interactions energy: -10.748 where: short stacking energy: -10.748 Base-Backbone interact. energy: -0.028 local terms energy: -27.122113 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -35.014316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.014316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.014316 (E_RNA) where: Base-Base interactions energy: -9.421 where: short stacking energy: -9.421 Base-Backbone interact. energy: -0.133 local terms energy: -25.460036 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -6.202 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: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -31.296844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.296844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.296844 (E_RNA) where: Base-Base interactions energy: -6.428 where: short stacking energy: -6.428 Base-Backbone interact. energy: -0.086 local terms energy: -24.782538 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -3.377 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: 6, replica: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -32.907607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.907607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.907607 (E_RNA) where: Base-Base interactions energy: -6.609 where: short stacking energy: -6.609 Base-Backbone interact. energy: -0.012 local terms energy: -26.286001 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -33.175865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.175865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.175865 (E_RNA) where: Base-Base interactions energy: -8.620 where: short stacking energy: -8.318 Base-Backbone interact. energy: -0.005 local terms energy: -24.550585 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -32.381540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.381540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.381540 (E_RNA) where: Base-Base interactions energy: -7.434 where: short stacking energy: -7.434 Base-Backbone interact. energy: -0.084 local terms energy: -24.863006 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -4.019 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: 9, replica: 5 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -32.935894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.935894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.935894 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -7.353 Base-Backbone interact. energy: -0.000 local terms energy: -24.912478 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -2.728 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: 6 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -33.576461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.576461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.576461 (E_RNA) where: Base-Base interactions energy: -10.844 where: short stacking energy: -10.844 Base-Backbone interact. energy: -0.000 local terms energy: -22.731698 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -2.990 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: 9 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -42.839290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.839290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.839290 (E_RNA) where: Base-Base interactions energy: -15.624 where: short stacking energy: -15.624 Base-Backbone interact. energy: -0.007 local terms energy: -27.208510 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -4.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -35.804186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.804186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.804186 (E_RNA) where: Base-Base interactions energy: -11.130 where: short stacking energy: -11.130 Base-Backbone interact. energy: -0.010 local terms energy: -24.663883 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -4.259 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: 3, replica: 10 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -34.563929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.563929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.563929 (E_RNA) where: Base-Base interactions energy: -7.466 where: short stacking energy: -7.466 Base-Backbone interact. energy: -0.020 local terms energy: -27.078303 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -5.872 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -34.559488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.559488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.559488 (E_RNA) where: Base-Base interactions energy: -4.917 where: short stacking energy: -4.917 Base-Backbone interact. energy: -0.071 local terms energy: -29.571522 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -6.004 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -36.490038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.490038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.490038 (E_RNA) where: Base-Base interactions energy: -13.214 where: short stacking energy: -13.214 Base-Backbone interact. energy: -0.008 local terms energy: -23.267423 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -4.177 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: 6, replica: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -34.969643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.969643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.969643 (E_RNA) where: Base-Base interactions energy: -13.347 where: short stacking energy: -13.347 Base-Backbone interact. energy: 0.488 local terms energy: -22.110698 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -3.391 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -32.600680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.600680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.600680 (E_RNA) where: Base-Base interactions energy: -7.909 where: short stacking energy: -7.909 Base-Backbone interact. energy: -0.085 local terms energy: -24.606539 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -4.907 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: 8, replica: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -28.154047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.154047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.154047 (E_RNA) where: Base-Base interactions energy: -4.764 where: short stacking energy: -4.764 Base-Backbone interact. energy: -1.032 local terms energy: -22.357575 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: 1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -28.421430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.421430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.421430 (E_RNA) where: Base-Base interactions energy: -7.583 where: short stacking energy: -7.583 Base-Backbone interact. energy: -0.281 local terms energy: -20.557564 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -2.363 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -26.749030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.749030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.749030 (E_RNA) where: Base-Base interactions energy: -5.484 where: short stacking energy: -5.484 Base-Backbone interact. energy: -0.094 local terms energy: -21.170941 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -38.678479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.678479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.678479 (E_RNA) where: Base-Base interactions energy: -13.911 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.193 local terms energy: -24.574332 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -4.520 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: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -40.858646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.858646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.858646 (E_RNA) where: Base-Base interactions energy: -15.189 where: short stacking energy: -15.189 Base-Backbone interact. energy: -0.037 local terms energy: -25.632851 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -5.418 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: 7 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -36.928304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.928304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.928304 (E_RNA) where: Base-Base interactions energy: -9.711 where: short stacking energy: -9.711 Base-Backbone interact. energy: -0.049 local terms energy: -27.168622 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -3.133 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: 4, replica: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -38.117141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.117141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.117141 (E_RNA) where: Base-Base interactions energy: -9.364 where: short stacking energy: -9.364 Base-Backbone interact. energy: -0.042 local terms energy: -28.711122 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -4.833 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: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -35.142373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.142373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.142373 (E_RNA) where: Base-Base interactions energy: -8.265 where: short stacking energy: -8.265 Base-Backbone interact. energy: -0.004 local terms energy: -26.873845 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -30.902107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.902107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.902107 (E_RNA) where: Base-Base interactions energy: -6.846 where: short stacking energy: -6.846 Base-Backbone interact. energy: -0.091 local terms energy: -23.965393 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -2.123 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: 7, replica: 4 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -32.391403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.391403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.391403 (E_RNA) where: Base-Base interactions energy: -6.239 where: short stacking energy: -6.239 Base-Backbone interact. energy: -0.048 local terms energy: -26.103833 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.008 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: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -28.617009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.617009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.617009 (E_RNA) where: Base-Base interactions energy: -7.751 where: short stacking energy: -7.751 Base-Backbone interact. energy: -0.041 local terms energy: -20.824986 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: 0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -37.045235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.045235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.045235 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.097 local terms energy: -28.420517 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -4.441 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: 10, replica: 5 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -26.282231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.282231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.282231 (E_RNA) where: Base-Base interactions energy: -6.628 where: short stacking energy: -3.915 Base-Backbone interact. energy: -0.019 local terms energy: -19.634933 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -4.219 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -4.528 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: 10 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -40.199966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.199966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.199966 (E_RNA) where: Base-Base interactions energy: -15.319 where: short stacking energy: -15.319 Base-Backbone interact. energy: -0.007 local terms energy: -24.873813 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -3.232 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: 2, replica: 9 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -38.601856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.601856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.601856 (E_RNA) where: Base-Base interactions energy: -11.745 where: short stacking energy: -11.745 Base-Backbone interact. energy: -0.100 local terms energy: -26.757254 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -45.444811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.444811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.444811 (E_RNA) where: Base-Base interactions energy: -13.427 where: short stacking energy: -13.427 Base-Backbone interact. energy: -0.000 local terms energy: -32.017484 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -6.971 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: 454 Temperature: 1.050000 Total energy: -35.586064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.586064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.586064 (E_RNA) where: Base-Base interactions energy: -9.664 where: short stacking energy: -9.664 Base-Backbone interact. energy: -0.001 local terms energy: -25.921149 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -2.990 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: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -33.135037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.135037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.135037 (E_RNA) where: Base-Base interactions energy: -6.429 where: short stacking energy: -6.429 Base-Backbone interact. energy: -0.393 local terms energy: -26.312936 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -34.518409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.518409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.518409 (E_RNA) where: Base-Base interactions energy: -12.660 where: short stacking energy: -12.660 Base-Backbone interact. energy: -0.000 local terms energy: -21.858725 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -5.124 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: 7, replica: 6 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -36.359256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.359256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.359256 (E_RNA) where: Base-Base interactions energy: -9.649 where: short stacking energy: -9.649 Base-Backbone interact. energy: -0.086 local terms energy: -26.624559 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -3.071 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: 8, replica: 4 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -33.568508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.568508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.568508 (E_RNA) where: Base-Base interactions energy: -9.786 where: short stacking energy: -9.786 Base-Backbone interact. energy: -0.004 local terms energy: -23.778262 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -3.088 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: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -30.811454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.811454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.811454 (E_RNA) where: Base-Base interactions energy: -8.056 where: short stacking energy: -8.056 Base-Backbone interact. energy: -0.017 local terms energy: -22.738666 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -3.573 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -34.121926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.121926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.121926 (E_RNA) where: Base-Base interactions energy: -10.314 where: short stacking energy: -10.314 Base-Backbone interact. energy: -0.108 local terms energy: -23.700620 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -2.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -40.959455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.959455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.959455 (E_RNA) where: Base-Base interactions energy: -11.959 where: short stacking energy: -11.959 Base-Backbone interact. energy: -0.010 local terms energy: -28.990544 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -35.041299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.041299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.041299 (E_RNA) where: Base-Base interactions energy: -15.019 where: short stacking energy: -12.779 Base-Backbone interact. energy: -0.529 local terms energy: -19.493557 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: 0.051 flat angles P-C4'-P energy: -5.115 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: 3, replica: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -39.169852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.169852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.169852 (E_RNA) where: Base-Base interactions energy: -12.051 where: short stacking energy: -12.051 Base-Backbone interact. energy: -0.000 local terms energy: -27.118802 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -2.726 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: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -34.888962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.888962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.888962 (E_RNA) where: Base-Base interactions energy: -10.913 where: short stacking energy: -10.913 Base-Backbone interact. energy: 0.518 local terms energy: -24.493648 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -1.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -34.775661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.775661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.775661 (E_RNA) where: Base-Base interactions energy: -11.180 where: short stacking energy: -11.180 Base-Backbone interact. energy: -0.042 local terms energy: -23.553260 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -1.966 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: 6, replica: 6 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -33.903907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.903907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.903907 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.001 local terms energy: -26.591136 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -31.295189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.295189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.295189 (E_RNA) where: Base-Base interactions energy: -8.494 where: short stacking energy: -8.494 Base-Backbone interact. energy: -0.093 local terms energy: -22.707945 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -2.943 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: 8, replica: 5 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -29.785832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.785832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.785832 (E_RNA) where: Base-Base interactions energy: -3.874 where: short stacking energy: -3.874 Base-Backbone interact. energy: -0.046 local terms energy: -25.865651 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.461 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -29.831132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.831132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.831132 (E_RNA) where: Base-Base interactions energy: -8.257 where: short stacking energy: -8.257 Base-Backbone interact. energy: -0.097 local terms energy: -21.477568 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -5.388 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.417 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: 10, replica: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -33.904856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.904856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.904856 (E_RNA) where: Base-Base interactions energy: -11.928 where: short stacking energy: -11.928 Base-Backbone interact. energy: -0.001 local terms energy: -21.975329 where: bonds (distance) C4'-P energy: -2.113 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -4.679 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: 1, replica: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -33.533755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.533755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.533755 (E_RNA) where: Base-Base interactions energy: -6.892 where: short stacking energy: -7.246 Base-Backbone interact. energy: -0.100 local terms energy: -26.541164 where: bonds (distance) C4'-P energy: -6.481 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -38.295951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.295951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.295951 (E_RNA) where: Base-Base interactions energy: -11.688 where: short stacking energy: -11.688 Base-Backbone interact. energy: -0.163 local terms energy: -26.444438 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -4.940 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: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -34.920804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.920804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.920804 (E_RNA) where: Base-Base interactions energy: -10.787 where: short stacking energy: -10.787 Base-Backbone interact. energy: 0.810 local terms energy: -24.944169 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -32.949205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.949205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.949205 (E_RNA) where: Base-Base interactions energy: -7.979 where: short stacking energy: -7.979 Base-Backbone interact. energy: -0.050 local terms energy: -24.919840 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -4.285 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: 5, replica: 7 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -35.191845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.191845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.191845 (E_RNA) where: Base-Base interactions energy: -7.744 where: short stacking energy: -7.744 Base-Backbone interact. energy: -0.000 local terms energy: -27.447335 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -1.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -30.843898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.843898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.843898 (E_RNA) where: Base-Base interactions energy: -7.100 where: short stacking energy: -7.100 Base-Backbone interact. energy: -0.039 local terms energy: -23.704675 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -3.718 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -34.241866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.241866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.241866 (E_RNA) where: Base-Base interactions energy: -12.885 where: short stacking energy: -12.885 Base-Backbone interact. energy: -0.000 local terms energy: -21.357283 where: bonds (distance) C4'-P energy: -4.870 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -1.471 tors. eta vs tors. theta energy: -2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -32.621129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.621129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.621129 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -11.002 Base-Backbone interact. energy: -0.096 local terms energy: -21.846253 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -29.443214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.443214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.443214 (E_RNA) where: Base-Base interactions energy: -5.975 where: short stacking energy: -5.975 Base-Backbone interact. energy: -0.015 local terms energy: -23.453676 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -4.121 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: 10, replica: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -27.427390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.427390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.427390 (E_RNA) where: Base-Base interactions energy: -8.508 where: short stacking energy: -6.122 Base-Backbone interact. energy: 0.690 local terms energy: -19.609313 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -1.608 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -40.817786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.817786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.817786 (E_RNA) where: Base-Base interactions energy: -15.933 where: short stacking energy: -15.933 Base-Backbone interact. energy: -0.000 local terms energy: -24.884516 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -37.895839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.895839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.895839 (E_RNA) where: Base-Base interactions energy: -11.634 where: short stacking energy: -11.634 Base-Backbone interact. energy: -0.127 local terms energy: -26.135074 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -2.268 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: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -36.778927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.778927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.778927 (E_RNA) where: Base-Base interactions energy: -6.328 where: short stacking energy: -6.328 Base-Backbone interact. energy: -0.000 local terms energy: -30.450390 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -5.303 tors. eta vs tors. theta energy: -5.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -35.308696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.308696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.308696 (E_RNA) where: Base-Base interactions energy: -6.875 where: short stacking energy: -6.875 Base-Backbone interact. energy: -0.000 local terms energy: -28.433429 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.945 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: 5, replica: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -34.858407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.858407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.858407 (E_RNA) where: Base-Base interactions energy: -8.390 where: short stacking energy: -8.390 Base-Backbone interact. energy: -0.002 local terms energy: -26.466974 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -5.371 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: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -31.103576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.103576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.103576 (E_RNA) where: Base-Base interactions energy: -6.317 where: short stacking energy: -6.317 Base-Backbone interact. energy: -0.001 local terms energy: -24.786319 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -3.498 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: 7, replica: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -31.242825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.242825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.242825 (E_RNA) where: Base-Base interactions energy: -6.786 where: short stacking energy: -6.786 Base-Backbone interact. energy: -0.037 local terms energy: -24.419437 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -30.743487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.743487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.743487 (E_RNA) where: Base-Base interactions energy: -6.916 where: short stacking energy: -6.916 Base-Backbone interact. energy: -0.002 local terms energy: -23.825169 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -30.717250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.717250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.717250 (E_RNA) where: Base-Base interactions energy: -8.901 where: short stacking energy: -8.901 Base-Backbone interact. energy: -0.006 local terms energy: -21.810380 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -3.204 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: 10, replica: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -35.008218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.008218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.008218 (E_RNA) where: Base-Base interactions energy: -12.145 where: short stacking energy: -12.145 Base-Backbone interact. energy: -0.005 local terms energy: -22.858174 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.818 flat angles P-C4'-P energy: -1.292 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: 1, replica: 10 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -35.830873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.830873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.830873 (E_RNA) where: Base-Base interactions energy: -12.181 where: short stacking energy: -11.484 Base-Backbone interact. energy: -0.000 local terms energy: -23.649667 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -3.542 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: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -41.385992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.385992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.385992 (E_RNA) where: Base-Base interactions energy: -13.689 where: short stacking energy: -13.689 Base-Backbone interact. energy: -0.006 local terms energy: -27.691720 where: bonds (distance) C4'-P energy: -3.375 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -5.061 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: 458 Temperature: 1.000000 Total energy: -41.608924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.608924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.608924 (E_RNA) where: Base-Base interactions energy: -12.256 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.005 local terms energy: -29.347474 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -5.986 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: 4, replica: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -32.897365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.897365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.897365 (E_RNA) where: Base-Base interactions energy: -6.313 where: short stacking energy: -6.313 Base-Backbone interact. energy: -0.037 local terms energy: -26.546683 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.543 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -40.878350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.878350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.878350 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.001 local terms energy: -29.485862 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -34.291185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.291185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.291185 (E_RNA) where: Base-Base interactions energy: -10.017 where: short stacking energy: -10.017 Base-Backbone interact. energy: -0.037 local terms energy: -24.237530 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -1.436 tors. eta vs tors. theta energy: -5.096 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: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -35.135271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.135271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.135271 (E_RNA) where: Base-Base interactions energy: -9.927 where: short stacking energy: -9.927 Base-Backbone interact. energy: -0.000 local terms energy: -25.207467 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -5.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -32.630851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.630851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.630851 (E_RNA) where: Base-Base interactions energy: -6.018 where: short stacking energy: -6.018 Base-Backbone interact. energy: -0.001 local terms energy: -26.612327 where: bonds (distance) C4'-P energy: -5.417 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -27.065355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.065355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.065355 (E_RNA) where: Base-Base interactions energy: -3.780 where: short stacking energy: -3.780 Base-Backbone interact. energy: -0.065 local terms energy: -23.219857 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -3.021 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: 10, replica: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -28.810767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.810767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.810767 (E_RNA) where: Base-Base interactions energy: -5.664 where: short stacking energy: -5.664 Base-Backbone interact. energy: -0.029 local terms energy: -23.117895 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -4.894 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -1.917 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: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -36.153760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.153760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.153760 (E_RNA) where: Base-Base interactions energy: -9.511 where: short stacking energy: -9.511 Base-Backbone interact. energy: -0.229 local terms energy: -26.413893 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -3.016 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: 2, replica: 7 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -34.236167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.236167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.236167 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.007 local terms energy: -26.076457 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -43.041029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.041029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.041029 (E_RNA) where: Base-Base interactions energy: -13.149 where: short stacking energy: -13.149 Base-Backbone interact. energy: -0.000 local terms energy: -29.891862 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -6.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -33.457816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.457816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.457816 (E_RNA) where: Base-Base interactions energy: -5.089 where: short stacking energy: -4.230 Base-Backbone interact. energy: -0.611 local terms energy: -27.758448 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -5.181 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: 5, replica: 5 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -32.079490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.079490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.079490 (E_RNA) where: Base-Base interactions energy: -8.456 where: short stacking energy: -8.456 Base-Backbone interact. energy: -0.083 local terms energy: -23.540598 where: bonds (distance) C4'-P energy: -4.920 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -4.386 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: 6, replica: 1 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -30.752860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.752860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.752860 (E_RNA) where: Base-Base interactions energy: -9.592 where: short stacking energy: -9.592 Base-Backbone interact. energy: -0.041 local terms energy: -21.120054 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -2.890 flat angles P-C4'-P energy: -1.778 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: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -33.256023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.256023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.256023 (E_RNA) where: Base-Base interactions energy: -9.740 where: short stacking energy: -9.269 Base-Backbone interact. energy: -0.001 local terms energy: -23.515272 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -3.195 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -33.716419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.716419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.716419 (E_RNA) where: Base-Base interactions energy: -11.738 where: short stacking energy: -11.738 Base-Backbone interact. energy: -0.007 local terms energy: -21.971436 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -32.462767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.462767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.462767 (E_RNA) where: Base-Base interactions energy: -9.467 where: short stacking energy: -9.467 Base-Backbone interact. energy: -0.004 local terms energy: -22.991353 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -2.525 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: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -33.035639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.035639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.035639 (E_RNA) where: Base-Base interactions energy: -6.835 where: short stacking energy: -6.835 Base-Backbone interact. energy: -0.049 local terms energy: -26.151466 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -3.284 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -5.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -40.968121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.968121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.968121 (E_RNA) where: Base-Base interactions energy: -11.649 where: short stacking energy: -11.649 Base-Backbone interact. energy: -0.000 local terms energy: -29.319083 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -39.643854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.643854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.643854 (E_RNA) where: Base-Base interactions energy: -12.419 where: short stacking energy: -11.105 Base-Backbone interact. energy: -0.009 local terms energy: -27.215688 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -4.535 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: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -35.711314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.711314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.711314 (E_RNA) where: Base-Base interactions energy: -11.027 where: short stacking energy: -9.095 Base-Backbone interact. energy: 0.217 local terms energy: -24.901329 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.601 flat angles P-C4'-P energy: -5.165 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: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -38.945934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.945934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.945934 (E_RNA) where: Base-Base interactions energy: -11.895 where: short stacking energy: -11.895 Base-Backbone interact. energy: -0.000 local terms energy: -27.050526 where: bonds (distance) C4'-P energy: -6.895 bonds (distance) P-C4' energy: -5.621 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -5.045 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: 5, replica: 1 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -33.590076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.590076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.590076 (E_RNA) where: Base-Base interactions energy: -8.188 where: short stacking energy: -8.188 Base-Backbone interact. energy: -0.004 local terms energy: -25.398585 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -34.734404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.734404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.734404 (E_RNA) where: Base-Base interactions energy: -9.024 where: short stacking energy: -9.024 Base-Backbone interact. energy: -0.003 local terms energy: -25.707299 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -30.720874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.720874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.720874 (E_RNA) where: Base-Base interactions energy: -7.156 where: short stacking energy: -7.156 Base-Backbone interact. energy: -0.192 local terms energy: -23.372885 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -4.147 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: 460 Temperature: 1.250000 Total energy: -30.531089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.531089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.531089 (E_RNA) where: Base-Base interactions energy: -7.514 where: short stacking energy: -7.514 Base-Backbone interact. energy: -0.018 local terms energy: -22.999405 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -4.616 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: 9, replica: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -34.578748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.578748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.578748 (E_RNA) where: Base-Base interactions energy: -13.244 where: short stacking energy: -13.244 Base-Backbone interact. energy: -0.000 local terms energy: -21.335136 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -2.159 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -30.117059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.117059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.117059 (E_RNA) where: Base-Base interactions energy: -7.220 where: short stacking energy: -7.220 Base-Backbone interact. energy: -0.074 local terms energy: -22.823143 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -38.945584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.945584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.945584 (E_RNA) where: Base-Base interactions energy: -12.206 where: short stacking energy: -12.206 Base-Backbone interact. energy: -0.001 local terms energy: -26.738647 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -37.938009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.938009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.938009 (E_RNA) where: Base-Base interactions energy: -12.157 where: short stacking energy: -12.157 Base-Backbone interact. energy: -0.001 local terms energy: -25.779812 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -4.644 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: 10 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -40.379598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.379598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.379598 (E_RNA) where: Base-Base interactions energy: -12.114 where: short stacking energy: -12.114 Base-Backbone interact. energy: -0.066 local terms energy: -28.200277 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -5.674 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: 4, replica: 1 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -41.018351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.018351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.018351 (E_RNA) where: Base-Base interactions energy: -14.498 where: short stacking energy: -14.498 Base-Backbone interact. energy: -0.000 local terms energy: -26.520522 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -5.672 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -2.028 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -37.641973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.641973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.641973 (E_RNA) where: Base-Base interactions energy: -11.517 where: short stacking energy: -11.517 Base-Backbone interact. energy: -0.056 local terms energy: -26.068375 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.200 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: 6, replica: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -36.127010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.127010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.127010 (E_RNA) where: Base-Base interactions energy: -8.946 where: short stacking energy: -8.946 Base-Backbone interact. energy: -0.000 local terms energy: -27.181152 where: bonds (distance) C4'-P energy: -2.199 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -6.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -29.770300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.770300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.770300 (E_RNA) where: Base-Base interactions energy: -6.742 where: short stacking energy: -6.742 Base-Backbone interact. energy: -0.089 local terms energy: -22.939289 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -30.046082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.046082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.046082 (E_RNA) where: Base-Base interactions energy: -9.802 where: short stacking energy: -9.802 Base-Backbone interact. energy: -0.001 local terms energy: -20.242812 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -2.565 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: 9 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -31.296550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.296550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.296550 (E_RNA) where: Base-Base interactions energy: -5.045 where: short stacking energy: -4.461 Base-Backbone interact. energy: -0.040 local terms energy: -26.211659 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -5.911 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: 10, replica: 6 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -28.811281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.811281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.811281 (E_RNA) where: Base-Base interactions energy: -4.775 where: short stacking energy: -4.775 Base-Backbone interact. energy: -0.281 local terms energy: -23.755101 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: 1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -38.778904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.778904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.778904 (E_RNA) where: Base-Base interactions energy: -12.080 where: short stacking energy: -12.080 Base-Backbone interact. energy: -0.000 local terms energy: -26.698850 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -5.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -34.806850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.806850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.806850 (E_RNA) where: Base-Base interactions energy: -8.046 where: short stacking energy: -8.046 Base-Backbone interact. energy: -0.014 local terms energy: -26.746725 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -5.142 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: 3, replica: 1 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -34.057024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.057024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.057024 (E_RNA) where: Base-Base interactions energy: -9.772 where: short stacking energy: -9.772 Base-Backbone interact. energy: -0.060 local terms energy: -24.224944 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -5.443 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: 4, replica: 10 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -38.571484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.571484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.571484 (E_RNA) where: Base-Base interactions energy: -11.418 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.013 local terms energy: -27.140272 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -4.155 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: 5, replica: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -36.968809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.968809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.968809 (E_RNA) where: Base-Base interactions energy: -11.616 where: short stacking energy: -11.616 Base-Backbone interact. energy: -0.000 local terms energy: -25.352977 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.095 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: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -36.275000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.275000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.275000 (E_RNA) where: Base-Base interactions energy: -9.127 where: short stacking energy: -9.127 Base-Backbone interact. energy: -0.043 local terms energy: -27.105339 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -4.536 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: 3 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -29.232600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.232600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.232600 (E_RNA) where: Base-Base interactions energy: -7.710 where: short stacking energy: -7.710 Base-Backbone interact. energy: -0.009 local terms energy: -21.514403 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -32.673257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.673257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.673257 (E_RNA) where: Base-Base interactions energy: -9.832 where: short stacking energy: -9.832 Base-Backbone interact. energy: -0.061 local terms energy: -22.780832 where: bonds (distance) C4'-P energy: -5.255 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -4.580 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: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -29.281971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.281971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.281971 (E_RNA) where: Base-Base interactions energy: -11.280 where: short stacking energy: -9.830 Base-Backbone interact. energy: -0.078 local terms energy: -17.923528 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -4.851 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -2.543 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: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -33.879414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.879414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.879414 (E_RNA) where: Base-Base interactions energy: -8.209 where: short stacking energy: -8.209 Base-Backbone interact. energy: -0.000 local terms energy: -25.670174 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -4.610 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: 1, replica: 2 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -36.236722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.236722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.236722 (E_RNA) where: Base-Base interactions energy: -13.432 where: short stacking energy: -11.637 Base-Backbone interact. energy: -0.082 local terms energy: -22.722578 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.165 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: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -40.482996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.482996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.482996 (E_RNA) where: Base-Base interactions energy: -13.017 where: short stacking energy: -13.017 Base-Backbone interact. energy: -0.012 local terms energy: -27.453712 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -4.574 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: 3, replica: 7 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -37.280675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.280675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.280675 (E_RNA) where: Base-Base interactions energy: -11.904 where: short stacking energy: -11.904 Base-Backbone interact. energy: -0.000 local terms energy: -25.376193 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -3.794 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: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -37.522954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.522954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.522954 (E_RNA) where: Base-Base interactions energy: -10.848 where: short stacking energy: -10.848 Base-Backbone interact. energy: -0.098 local terms energy: -26.576683 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -28.897589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.897589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.897589 (E_RNA) where: Base-Base interactions energy: -8.039 where: short stacking energy: -8.039 Base-Backbone interact. energy: -0.483 local terms energy: -20.375799 where: bonds (distance) C4'-P energy: -2.967 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -5.764 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: 6, replica: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -32.992501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.992501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.992501 (E_RNA) where: Base-Base interactions energy: -9.554 where: short stacking energy: -9.554 Base-Backbone interact. energy: -0.019 local terms energy: -23.419121 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.404 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -36.161338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.161338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.161338 (E_RNA) where: Base-Base interactions energy: -10.698 where: short stacking energy: -10.698 Base-Backbone interact. energy: -0.004 local terms energy: -25.459354 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -4.061 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: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -31.411988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.411988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.411988 (E_RNA) where: Base-Base interactions energy: -11.485 where: short stacking energy: -11.485 Base-Backbone interact. energy: -0.137 local terms energy: -19.790293 where: bonds (distance) C4'-P energy: -2.735 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -0.835 tors. eta vs tors. theta energy: -2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -28.878425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.878425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.878425 (E_RNA) where: Base-Base interactions energy: -4.186 where: short stacking energy: -4.186 Base-Backbone interact. energy: -0.001 local terms energy: -24.691209 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -3.977 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: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -29.585503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.585503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.585503 (E_RNA) where: Base-Base interactions energy: -5.252 where: short stacking energy: -5.252 Base-Backbone interact. energy: -0.005 local terms energy: -24.328029 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -5.448 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: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -37.137422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.137422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.137422 (E_RNA) where: Base-Base interactions energy: -12.571 where: short stacking energy: -12.571 Base-Backbone interact. energy: -0.007 local terms energy: -24.559929 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -36.111403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.111403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.111403 (E_RNA) where: Base-Base interactions energy: -10.492 where: short stacking energy: -10.492 Base-Backbone interact. energy: -0.191 local terms energy: -25.428282 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.042 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -39.120155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.120155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.120155 (E_RNA) where: Base-Base interactions energy: -12.815 where: short stacking energy: -12.815 Base-Backbone interact. energy: -0.001 local terms energy: -26.303757 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -36.916279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.916279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.916279 (E_RNA) where: Base-Base interactions energy: -8.796 where: short stacking energy: -8.796 Base-Backbone interact. energy: -0.183 local terms energy: -27.936666 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -6.016 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: 3 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -34.410277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.410277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.410277 (E_RNA) where: Base-Base interactions energy: -8.475 where: short stacking energy: -8.475 Base-Backbone interact. energy: -0.027 local terms energy: -25.908298 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -3.756 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: 6, replica: 10 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -33.762378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.762378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.762378 (E_RNA) where: Base-Base interactions energy: -11.134 where: short stacking energy: -11.134 Base-Backbone interact. energy: -0.030 local terms energy: -22.598845 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.565 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -31.410082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.410082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.410082 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -7.659 Base-Backbone interact. energy: -0.002 local terms energy: -23.748531 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -4.138 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: 8, replica: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -30.773968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.773968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.773968 (E_RNA) where: Base-Base interactions energy: -7.973 where: short stacking energy: -7.973 Base-Backbone interact. energy: -0.001 local terms energy: -22.799943 where: bonds (distance) C4'-P energy: -3.604 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -29.407450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.407450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.407450 (E_RNA) where: Base-Base interactions energy: -8.741 where: short stacking energy: -8.741 Base-Backbone interact. energy: -0.000 local terms energy: -20.665874 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -4.363 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -2.970 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: 10, replica: 5 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -25.881040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.881040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.881040 (E_RNA) where: Base-Base interactions energy: -4.212 where: short stacking energy: -3.752 Base-Backbone interact. energy: -0.054 local terms energy: -21.615041 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -1.368 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: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -37.852298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.852298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.852298 (E_RNA) where: Base-Base interactions energy: -7.068 where: short stacking energy: -7.068 Base-Backbone interact. energy: -0.000 local terms energy: -30.784436 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -4.215 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: 2, replica: 8 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -30.661390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.661390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.661390 (E_RNA) where: Base-Base interactions energy: -10.003 where: short stacking energy: 0.000 Base-Backbone interact. energy: 0.143 local terms energy: -20.801750 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: 2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -32.940751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.940751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.940751 (E_RNA) where: Base-Base interactions energy: -9.062 where: short stacking energy: -9.062 Base-Backbone interact. energy: -0.172 local terms energy: -23.706635 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -3.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -34.798279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.798279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.798279 (E_RNA) where: Base-Base interactions energy: -9.809 where: short stacking energy: -9.809 Base-Backbone interact. energy: -0.001 local terms energy: -24.987923 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.861 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: 5, replica: 3 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -37.429087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.429087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.429087 (E_RNA) where: Base-Base interactions energy: -11.414 where: short stacking energy: -11.414 Base-Backbone interact. energy: -0.000 local terms energy: -26.014606 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -4.118 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: 6, replica: 10 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -30.790494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.790494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.790494 (E_RNA) where: Base-Base interactions energy: -6.219 where: short stacking energy: -6.648 Base-Backbone interact. energy: -0.001 local terms energy: -24.570629 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -1.177 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: 6 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -33.483814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.483814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.483814 (E_RNA) where: Base-Base interactions energy: -10.453 where: short stacking energy: -10.453 Base-Backbone interact. energy: -0.094 local terms energy: -22.936498 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -33.683497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.683497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.683497 (E_RNA) where: Base-Base interactions energy: -9.196 where: short stacking energy: -9.196 Base-Backbone interact. energy: -0.086 local terms energy: -24.401527 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -3.557 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: 9, replica: 9 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -34.057653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.057653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.057653 (E_RNA) where: Base-Base interactions energy: -10.507 where: short stacking energy: -10.507 Base-Backbone interact. energy: -0.177 local terms energy: -23.373711 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -2.554 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: 10, replica: 5 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -29.193585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.193585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.193585 (E_RNA) where: Base-Base interactions energy: -7.513 where: short stacking energy: -7.513 Base-Backbone interact. energy: -0.003 local terms energy: -21.677453 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -3.138 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: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -41.488198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.488198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.488198 (E_RNA) where: Base-Base interactions energy: -14.129 where: short stacking energy: -14.129 Base-Backbone interact. energy: -0.001 local terms energy: -27.358228 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -4.346 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: 2, replica: 8 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -35.879362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.879362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.879362 (E_RNA) where: Base-Base interactions energy: -11.241 where: short stacking energy: -11.241 Base-Backbone interact. energy: -0.093 local terms energy: -24.545692 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: 0.365 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: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -36.094257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.094257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.094257 (E_RNA) where: Base-Base interactions energy: -12.971 where: short stacking energy: -12.971 Base-Backbone interact. energy: -0.000 local terms energy: -23.123292 where: bonds (distance) C4'-P energy: -6.079 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -30.838821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.838821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.838821 (E_RNA) where: Base-Base interactions energy: -7.480 where: short stacking energy: -7.899 Base-Backbone interact. energy: -0.093 local terms energy: -23.265081 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: 0.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -33.783686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.783686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.783686 (E_RNA) where: Base-Base interactions energy: -8.962 where: short stacking energy: -8.962 Base-Backbone interact. energy: -0.002 local terms energy: -24.819546 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -3.431 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: 6, replica: 3 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -27.938649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.938649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.938649 (E_RNA) where: Base-Base interactions energy: -3.508 where: short stacking energy: -3.508 Base-Backbone interact. energy: -0.055 local terms energy: -24.375002 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -28.522523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.522523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.522523 (E_RNA) where: Base-Base interactions energy: -3.499 where: short stacking energy: -3.499 Base-Backbone interact. energy: -0.070 local terms energy: -24.954065 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -31.355524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.355524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.355524 (E_RNA) where: Base-Base interactions energy: -7.331 where: short stacking energy: -7.331 Base-Backbone interact. energy: -0.188 local terms energy: -23.836023 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -2.496 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -30.040608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.040608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.040608 (E_RNA) where: Base-Base interactions energy: -8.259 where: short stacking energy: -8.259 Base-Backbone interact. energy: -0.093 local terms energy: -21.688657 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -2.845 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: 0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -27.921838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.921838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.921838 (E_RNA) where: Base-Base interactions energy: -6.720 where: short stacking energy: -6.720 Base-Backbone interact. energy: -0.033 local terms energy: -21.169658 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -3.085 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: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -42.619680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.619680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.619680 (E_RNA) where: Base-Base interactions energy: -15.188 where: short stacking energy: -15.188 Base-Backbone interact. energy: -0.000 local terms energy: -27.431975 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -42.455534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.455534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.455534 (E_RNA) where: Base-Base interactions energy: -17.487 where: short stacking energy: -12.103 Base-Backbone interact. energy: -0.484 local terms energy: -24.483962 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -0.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -32.887900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.887900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.887900 (E_RNA) where: Base-Base interactions energy: -10.390 where: short stacking energy: -10.390 Base-Backbone interact. energy: -0.099 local terms energy: -22.398041 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: 0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -33.653375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.653375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.653375 (E_RNA) where: Base-Base interactions energy: -6.673 where: short stacking energy: -6.673 Base-Backbone interact. energy: -0.002 local terms energy: -26.978741 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -5.310 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: 5, replica: 7 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -33.663638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.663638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.663638 (E_RNA) where: Base-Base interactions energy: -7.718 where: short stacking energy: -7.718 Base-Backbone interact. energy: -0.018 local terms energy: -25.928553 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -5.632 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: 6, replica: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -33.151332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.151332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.151332 (E_RNA) where: Base-Base interactions energy: -5.947 where: short stacking energy: -5.947 Base-Backbone interact. energy: -0.001 local terms energy: -27.203985 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -29.842089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.842089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.842089 (E_RNA) where: Base-Base interactions energy: -7.777 where: short stacking energy: -7.777 Base-Backbone interact. energy: -0.159 local terms energy: -21.905961 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: 1.911 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: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -30.482793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.482793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.482793 (E_RNA) where: Base-Base interactions energy: -5.686 where: short stacking energy: -5.686 Base-Backbone interact. energy: -0.003 local terms energy: -24.793639 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -4.761 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: 9, replica: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -28.070188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.070188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.070188 (E_RNA) where: Base-Base interactions energy: -7.170 where: short stacking energy: -7.170 Base-Backbone interact. energy: -0.027 local terms energy: -20.873162 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: 0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -26.750266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.750266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.750266 (E_RNA) where: Base-Base interactions energy: -4.004 where: short stacking energy: -4.004 Base-Backbone interact. energy: -0.002 local terms energy: -22.743612 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -2.936 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: 1, replica: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -44.782661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.782661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.782661 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -12.931 Base-Backbone interact. energy: -0.000 local terms energy: -31.851557 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -6.272 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: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -42.340260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.340260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.340260 (E_RNA) where: Base-Base interactions energy: -14.251 where: short stacking energy: -14.251 Base-Backbone interact. energy: -0.000 local terms energy: -28.089676 where: bonds (distance) C4'-P energy: -6.067 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -5.091 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: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -33.812551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.812551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.812551 (E_RNA) where: Base-Base interactions energy: -7.976 where: short stacking energy: -7.976 Base-Backbone interact. energy: -0.001 local terms energy: -25.835934 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -4.503 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: 4, replica: 8 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -34.203289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.203289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.203289 (E_RNA) where: Base-Base interactions energy: -7.146 where: short stacking energy: -7.146 Base-Backbone interact. energy: -0.000 local terms energy: -27.056987 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -4.186 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: 5, replica: 7 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -32.830750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.830750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.830750 (E_RNA) where: Base-Base interactions energy: -8.503 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.005 local terms energy: -24.322576 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -5.014 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: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -32.600729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.600729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.600729 (E_RNA) where: Base-Base interactions energy: -14.084 where: short stacking energy: -14.084 Base-Backbone interact. energy: -0.015 local terms energy: -18.502145 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -31.617886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.617886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.617886 (E_RNA) where: Base-Base interactions energy: -10.410 where: short stacking energy: -10.410 Base-Backbone interact. energy: -0.100 local terms energy: -21.107777 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -30.004561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.004561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.004561 (E_RNA) where: Base-Base interactions energy: -4.767 where: short stacking energy: -5.550 Base-Backbone interact. energy: -0.041 local terms energy: -25.196338 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -2.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -33.558894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.558894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.558894 (E_RNA) where: Base-Base interactions energy: -9.249 where: short stacking energy: -9.249 Base-Backbone interact. energy: -0.011 local terms energy: -24.298910 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -2.253 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: 6 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -29.507992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.507992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.507992 (E_RNA) where: Base-Base interactions energy: -5.244 where: short stacking energy: -5.244 Base-Backbone interact. energy: -0.000 local terms energy: -24.263469 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -4.167 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: 1, replica: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -35.596459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.596459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.596459 (E_RNA) where: Base-Base interactions energy: -9.206 where: short stacking energy: -9.206 Base-Backbone interact. energy: -0.052 local terms energy: -26.339157 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.458 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -41.900685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.900685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.900685 (E_RNA) where: Base-Base interactions energy: -14.853 where: short stacking energy: -14.799 Base-Backbone interact. energy: -0.000 local terms energy: -27.047831 where: bonds (distance) C4'-P energy: -4.179 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -5.891 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: 1 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -34.495675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.495675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.495675 (E_RNA) where: Base-Base interactions energy: -12.041 where: short stacking energy: -12.041 Base-Backbone interact. energy: -0.047 local terms energy: -22.407674 where: bonds (distance) C4'-P energy: -3.844 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -3.152 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: 4, replica: 7 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -35.045893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.045893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.045893 (E_RNA) where: Base-Base interactions energy: -11.601 where: short stacking energy: -11.601 Base-Backbone interact. energy: -0.003 local terms energy: -23.442585 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -33.512687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.512687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.512687 (E_RNA) where: Base-Base interactions energy: -8.128 where: short stacking energy: -8.128 Base-Backbone interact. energy: -0.000 local terms energy: -25.384353 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.760 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: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -32.993678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.993678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.993678 (E_RNA) where: Base-Base interactions energy: -6.825 where: short stacking energy: -6.825 Base-Backbone interact. energy: -0.232 local terms energy: -25.937128 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -5.932 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: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -35.637561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.637561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.637561 (E_RNA) where: Base-Base interactions energy: -10.940 where: short stacking energy: -10.807 Base-Backbone interact. energy: -0.000 local terms energy: -24.697575 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -4.675 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: 8, replica: 3 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -32.857733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.857733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.857733 (E_RNA) where: Base-Base interactions energy: -7.379 where: short stacking energy: -7.379 Base-Backbone interact. energy: -0.064 local terms energy: -25.414952 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -5.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -27.796744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.796744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.796744 (E_RNA) where: Base-Base interactions energy: -2.215 where: short stacking energy: -2.215 Base-Backbone interact. energy: 0.071 local terms energy: -25.652556 where: bonds (distance) C4'-P energy: -4.884 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -0.948 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: 10, replica: 6 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -31.446996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.446996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.446996 (E_RNA) where: Base-Base interactions energy: -5.871 where: short stacking energy: -5.871 Base-Backbone interact. energy: -0.000 local terms energy: -25.576360 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -5.398 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: 1, replica: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -38.296560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.296560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.296560 (E_RNA) where: Base-Base interactions energy: -11.635 where: short stacking energy: -11.635 Base-Backbone interact. energy: -0.003 local terms energy: -26.658262 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -5.958 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: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -38.219640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.219640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.219640 (E_RNA) where: Base-Base interactions energy: -11.165 where: short stacking energy: -11.165 Base-Backbone interact. energy: -0.000 local terms energy: -27.054396 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -3.750 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -38.981915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.981915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.981915 (E_RNA) where: Base-Base interactions energy: -11.784 where: short stacking energy: -10.234 Base-Backbone interact. energy: -0.001 local terms energy: -27.196845 where: bonds (distance) C4'-P energy: -5.123 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -6.245 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: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -38.662848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.662848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.662848 (E_RNA) where: Base-Base interactions energy: -13.183 where: short stacking energy: -13.183 Base-Backbone interact. energy: -0.025 local terms energy: -25.454349 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -5.938 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: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -37.758721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.758721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.758721 (E_RNA) where: Base-Base interactions energy: -13.688 where: short stacking energy: -12.423 Base-Backbone interact. energy: 0.927 local terms energy: -24.998431 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.781 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -4.655 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: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -30.047029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.047029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.047029 (E_RNA) where: Base-Base interactions energy: -11.135 where: short stacking energy: -10.952 Base-Backbone interact. energy: 0.099 local terms energy: -19.011151 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -4.384 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: 7, replica: 3 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -28.741773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.741773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.741773 (E_RNA) where: Base-Base interactions energy: -7.671 where: short stacking energy: -7.671 Base-Backbone interact. energy: -0.004 local terms energy: -21.066319 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -5.838 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: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -28.650854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.650854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.650854 (E_RNA) where: Base-Base interactions energy: -8.175 where: short stacking energy: -8.175 Base-Backbone interact. energy: -0.000 local terms energy: -20.475430 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -2.593 flat angles P-C4'-P energy: -4.901 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: 9, replica: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -26.304306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.304306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.304306 (E_RNA) where: Base-Base interactions energy: -3.659 where: short stacking energy: -3.659 Base-Backbone interact. energy: -0.012 local terms energy: -22.633315 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -3.829 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: 10, replica: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -35.231758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.231758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.231758 (E_RNA) where: Base-Base interactions energy: -12.984 where: short stacking energy: -12.984 Base-Backbone interact. energy: -0.003 local terms energy: -22.244961 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -4.153 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: 1, replica: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -39.711812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.711812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.711812 (E_RNA) where: Base-Base interactions energy: -13.077 where: short stacking energy: -13.077 Base-Backbone interact. energy: -0.000 local terms energy: -26.634884 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -5.430 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: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -33.669931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.669931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.669931 (E_RNA) where: Base-Base interactions energy: -5.754 where: short stacking energy: -5.754 Base-Backbone interact. energy: -0.039 local terms energy: -27.876733 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -5.449 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: 3, replica: 7 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -36.071962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.071962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.071962 (E_RNA) where: Base-Base interactions energy: -8.991 where: short stacking energy: -8.991 Base-Backbone interact. energy: -0.151 local terms energy: -26.929889 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -5.289 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: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -38.929472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.929472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.929472 (E_RNA) where: Base-Base interactions energy: -14.059 where: short stacking energy: -14.059 Base-Backbone interact. energy: -0.000 local terms energy: -24.870092 where: bonds (distance) C4'-P energy: -5.633 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -30.863154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.863154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.863154 (E_RNA) where: Base-Base interactions energy: -11.875 where: short stacking energy: -11.875 Base-Backbone interact. energy: -0.011 local terms energy: -18.977329 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -0.560 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: 6, replica: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -32.255456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.255456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.255456 (E_RNA) where: Base-Base interactions energy: -7.028 where: short stacking energy: -5.388 Base-Backbone interact. energy: -0.135 local terms energy: -25.092383 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -4.366 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: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -30.127540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.127540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.127540 (E_RNA) where: Base-Base interactions energy: -9.842 where: short stacking energy: -9.842 Base-Backbone interact. energy: -0.002 local terms energy: -20.283962 where: bonds (distance) C4'-P energy: -3.907 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.976 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: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -30.671867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.671867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.671867 (E_RNA) where: Base-Base interactions energy: -10.316 where: short stacking energy: -10.316 Base-Backbone interact. energy: -0.004 local terms energy: -20.351489 where: bonds (distance) C4'-P energy: -3.232 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -31.370480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.370480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.370480 (E_RNA) where: Base-Base interactions energy: -6.186 where: short stacking energy: -6.186 Base-Backbone interact. energy: -0.013 local terms energy: -25.172295 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -4.883 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: 10, replica: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -29.368259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.368259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.368259 (E_RNA) where: Base-Base interactions energy: -6.114 where: short stacking energy: -6.114 Base-Backbone interact. energy: -0.001 local terms energy: -23.253436 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -39.607465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.607465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.607465 (E_RNA) where: Base-Base interactions energy: -10.017 where: short stacking energy: -10.017 Base-Backbone interact. energy: -0.000 local terms energy: -29.590391 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -4.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -42.097356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.097356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.097356 (E_RNA) where: Base-Base interactions energy: -14.337 where: short stacking energy: -14.337 Base-Backbone interact. energy: -0.000 local terms energy: -27.760235 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -5.699 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: 3, replica: 5 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -36.975505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.975505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.975505 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.010 local terms energy: -25.279249 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -4.296 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: 7 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -36.721977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.721977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.721977 (E_RNA) where: Base-Base interactions energy: -14.592 where: short stacking energy: -14.592 Base-Backbone interact. energy: -0.001 local terms energy: -22.128561 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -4.471 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -2.710 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: 5, replica: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -38.292349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.292349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.292349 (E_RNA) where: Base-Base interactions energy: -15.128 where: short stacking energy: -15.128 Base-Backbone interact. energy: -0.000 local terms energy: -23.163944 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -2.784 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: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -33.887473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.887473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.887473 (E_RNA) where: Base-Base interactions energy: -7.282 where: short stacking energy: -7.099 Base-Backbone interact. energy: -0.026 local terms energy: -26.580434 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -5.002 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: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -32.858071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.858071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.858071 (E_RNA) where: Base-Base interactions energy: -9.265 where: short stacking energy: -9.265 Base-Backbone interact. energy: -0.788 local terms energy: -22.805104 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -1.337 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: 8, replica: 8 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -28.690085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.690085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.690085 (E_RNA) where: Base-Base interactions energy: -7.797 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.098 local terms energy: -20.794590 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -5.978 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -4.359 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: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -30.033076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.033076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.033076 (E_RNA) where: Base-Base interactions energy: -8.762 where: short stacking energy: -8.762 Base-Backbone interact. energy: -0.000 local terms energy: -21.271553 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -2.387 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: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -29.105874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.105874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.105874 (E_RNA) where: Base-Base interactions energy: -6.743 where: short stacking energy: -6.743 Base-Backbone interact. energy: 0.695 local terms energy: -23.057633 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -3.326 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: 473 Temperature: 0.900000 Total energy: -35.362653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.362653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.362653 (E_RNA) where: Base-Base interactions energy: -12.154 where: short stacking energy: -10.496 Base-Backbone interact. energy: -0.095 local terms energy: -23.112913 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -1.683 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: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -38.596083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.596083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.596083 (E_RNA) where: Base-Base interactions energy: -11.130 where: short stacking energy: -11.130 Base-Backbone interact. energy: -0.000 local terms energy: -27.466219 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -37.229069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.229069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.229069 (E_RNA) where: Base-Base interactions energy: -10.814 where: short stacking energy: -10.814 Base-Backbone interact. energy: -0.052 local terms energy: -26.363155 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.191 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: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -33.421682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.421682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.421682 (E_RNA) where: Base-Base interactions energy: -9.710 where: short stacking energy: -9.710 Base-Backbone interact. energy: -0.013 local terms energy: -23.698216 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -4.926 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: 5, replica: 7 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -38.154928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.154928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.154928 (E_RNA) where: Base-Base interactions energy: -14.353 where: short stacking energy: -14.753 Base-Backbone interact. energy: -0.030 local terms energy: -23.771884 where: bonds (distance) C4'-P energy: -2.385 bonds (distance) P-C4' energy: -8.042 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -32.034868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.034868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.034868 (E_RNA) where: Base-Base interactions energy: -7.503 where: short stacking energy: -7.503 Base-Backbone interact. energy: -0.038 local terms energy: -24.494411 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -4.492 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: 1 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -32.814773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.814773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.814773 (E_RNA) where: Base-Base interactions energy: -10.217 where: short stacking energy: -10.217 Base-Backbone interact. energy: -0.000 local terms energy: -22.597394 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -3.756 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -29.197381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.197381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.197381 (E_RNA) where: Base-Base interactions energy: -6.967 where: short stacking energy: -6.967 Base-Backbone interact. energy: -0.162 local terms energy: -22.069020 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -26.187742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.187742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.187742 (E_RNA) where: Base-Base interactions energy: -9.572 where: short stacking energy: -9.572 Base-Backbone interact. energy: -0.092 local terms energy: -16.523303 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -5.140 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -1.330 tors. eta vs tors. theta energy: 2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -32.445406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.445406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.445406 (E_RNA) where: Base-Base interactions energy: -7.257 where: short stacking energy: -7.257 Base-Backbone interact. energy: -0.105 local terms energy: -25.082474 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -4.473 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: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -40.335833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.335833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.335833 (E_RNA) where: Base-Base interactions energy: -13.312 where: short stacking energy: -11.216 Base-Backbone interact. energy: -0.011 local terms energy: -27.012866 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -3.986 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: 2, replica: 2 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -40.544074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.544074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.544074 (E_RNA) where: Base-Base interactions energy: -11.482 where: short stacking energy: -11.482 Base-Backbone interact. energy: -0.000 local terms energy: -29.062496 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -35.273419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.273419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.273419 (E_RNA) where: Base-Base interactions energy: -10.424 where: short stacking energy: -10.424 Base-Backbone interact. energy: -0.001 local terms energy: -24.848811 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -3.426 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: 4, replica: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -31.953839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.953839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.953839 (E_RNA) where: Base-Base interactions energy: -7.344 where: short stacking energy: -7.344 Base-Backbone interact. energy: -0.002 local terms energy: -24.608032 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -5.025 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: 5, replica: 6 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -31.834485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.834485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.834485 (E_RNA) where: Base-Base interactions energy: -7.592 where: short stacking energy: -7.592 Base-Backbone interact. energy: -0.000 local terms energy: -24.242516 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.963 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: 6, replica: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -31.052168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.052168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.052168 (E_RNA) where: Base-Base interactions energy: -3.540 where: short stacking energy: -3.540 Base-Backbone interact. energy: -0.085 local terms energy: -27.426766 where: bonds (distance) C4'-P energy: -6.121 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -5.490 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: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -31.191849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.191849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.191849 (E_RNA) where: Base-Base interactions energy: -6.737 where: short stacking energy: -6.737 Base-Backbone interact. energy: -0.101 local terms energy: -24.353934 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -2.486 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: 8, replica: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -27.742798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.742798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.742798 (E_RNA) where: Base-Base interactions energy: -6.660 where: short stacking energy: -6.660 Base-Backbone interact. energy: -0.000 local terms energy: -21.082774 where: bonds (distance) C4'-P energy: -3.550 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -3.667 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: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -31.059344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.059344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.059344 (E_RNA) where: Base-Base interactions energy: -6.397 where: short stacking energy: -6.397 Base-Backbone interact. energy: -0.076 local terms energy: -24.586236 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -4.273 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: 10, replica: 8 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -30.033998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.033998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.033998 (E_RNA) where: Base-Base interactions energy: -4.039 where: short stacking energy: -4.039 Base-Backbone interact. energy: -0.000 local terms energy: -25.994343 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -36.740315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.740315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.740315 (E_RNA) where: Base-Base interactions energy: -9.024 where: short stacking energy: -9.024 Base-Backbone interact. energy: -0.032 local terms energy: -27.684626 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -5.390 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: 2, replica: 3 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -42.863057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.863057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.863057 (E_RNA) where: Base-Base interactions energy: -13.536 where: short stacking energy: -13.536 Base-Backbone interact. energy: -0.009 local terms energy: -29.318834 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -5.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -39.642708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.642708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.642708 (E_RNA) where: Base-Base interactions energy: -10.253 where: short stacking energy: -10.253 Base-Backbone interact. energy: -0.000 local terms energy: -29.389175 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -40.847022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.847022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.847022 (E_RNA) where: Base-Base interactions energy: -13.819 where: short stacking energy: -13.819 Base-Backbone interact. energy: -0.003 local terms energy: -27.025170 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -1.552 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -35.424304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.424304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.424304 (E_RNA) where: Base-Base interactions energy: -8.976 where: short stacking energy: -8.976 Base-Backbone interact. energy: -0.000 local terms energy: -26.448484 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -4.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -30.173162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.173162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.173162 (E_RNA) where: Base-Base interactions energy: -6.120 where: short stacking energy: -6.120 Base-Backbone interact. energy: -0.010 local terms energy: -24.043230 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -5.033 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: 7, replica: 7 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -28.636998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.636998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.636998 (E_RNA) where: Base-Base interactions energy: -7.702 where: short stacking energy: -7.702 Base-Backbone interact. energy: -0.000 local terms energy: -20.934301 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -2.314 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: 8, replica: 4 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -28.906445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.906445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.906445 (E_RNA) where: Base-Base interactions energy: -7.420 where: short stacking energy: -7.420 Base-Backbone interact. energy: -0.207 local terms energy: -21.280066 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: 1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -28.150242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.150242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.150242 (E_RNA) where: Base-Base interactions energy: -4.221 where: short stacking energy: -4.221 Base-Backbone interact. energy: -0.093 local terms energy: -23.835692 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -28.602366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.602366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.602366 (E_RNA) where: Base-Base interactions energy: -8.599 where: short stacking energy: -8.599 Base-Backbone interact. energy: -0.000 local terms energy: -20.002875 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -4.309 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: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -42.199981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.199981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.199981 (E_RNA) where: Base-Base interactions energy: -13.299 where: short stacking energy: -13.299 Base-Backbone interact. energy: -0.008 local terms energy: -28.893226 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -4.794 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: 10 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -39.391608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.391608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.391608 (E_RNA) where: Base-Base interactions energy: -13.367 where: short stacking energy: -13.367 Base-Backbone interact. energy: 0.097 local terms energy: -26.121888 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -4.396 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: 3, replica: 6 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -34.502642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.502642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.502642 (E_RNA) where: Base-Base interactions energy: -6.613 where: short stacking energy: -6.613 Base-Backbone interact. energy: 0.240 local terms energy: -28.130025 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -5.816 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: 4, replica: 2 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -34.852840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.852840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.852840 (E_RNA) where: Base-Base interactions energy: -7.188 where: short stacking energy: -7.188 Base-Backbone interact. energy: -0.004 local terms energy: -27.660773 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -30.544915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.544915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.544915 (E_RNA) where: Base-Base interactions energy: -6.201 where: short stacking energy: -6.201 Base-Backbone interact. energy: -0.001 local terms energy: -24.343093 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -5.248 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: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -34.328725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.328725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.328725 (E_RNA) where: Base-Base interactions energy: -9.239 where: short stacking energy: -9.239 Base-Backbone interact. energy: -0.001 local terms energy: -25.088874 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -29.337081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.337081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.337081 (E_RNA) where: Base-Base interactions energy: -10.388 where: short stacking energy: -8.612 Base-Backbone interact. energy: -0.207 local terms energy: -18.741566 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -0.405 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: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -31.163848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.163848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.163848 (E_RNA) where: Base-Base interactions energy: -8.307 where: short stacking energy: -6.463 Base-Backbone interact. energy: -0.366 local terms energy: -22.490745 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -5.547 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: 9, replica: 8 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -30.029444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.029444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.029444 (E_RNA) where: Base-Base interactions energy: -8.082 where: short stacking energy: -8.082 Base-Backbone interact. energy: -0.003 local terms energy: -21.944163 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -2.312 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: 10, replica: 1 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -31.074291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.074291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.074291 (E_RNA) where: Base-Base interactions energy: -6.957 where: short stacking energy: -6.957 Base-Backbone interact. energy: -0.000 local terms energy: -24.117174 where: bonds (distance) C4'-P energy: -5.102 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -35.658240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.658240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.658240 (E_RNA) where: Base-Base interactions energy: -11.093 where: short stacking energy: -11.093 Base-Backbone interact. energy: -0.059 local terms energy: -24.505999 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -38.959811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.959811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.959811 (E_RNA) where: Base-Base interactions energy: -10.792 where: short stacking energy: -10.792 Base-Backbone interact. energy: -0.089 local terms energy: -28.078835 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -6.082 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: 3, replica: 10 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -33.289611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.289611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.289611 (E_RNA) where: Base-Base interactions energy: -8.131 where: short stacking energy: -8.131 Base-Backbone interact. energy: -0.195 local terms energy: -24.964125 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -3.199 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: 4, replica: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -34.066338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.066338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.066338 (E_RNA) where: Base-Base interactions energy: -9.828 where: short stacking energy: -9.828 Base-Backbone interact. energy: -0.000 local terms energy: -24.238654 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -1.959 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: 5, replica: 9 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -31.847920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.847920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.847920 (E_RNA) where: Base-Base interactions energy: -7.130 where: short stacking energy: -7.130 Base-Backbone interact. energy: -0.100 local terms energy: -24.617860 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -4.370 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: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -29.317669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.317669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.317669 (E_RNA) where: Base-Base interactions energy: -1.684 where: short stacking energy: -1.684 Base-Backbone interact. energy: -0.121 local terms energy: -27.512708 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -30.554685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.554685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.554685 (E_RNA) where: Base-Base interactions energy: -7.230 where: short stacking energy: -8.430 Base-Backbone interact. energy: -0.431 local terms energy: -22.893703 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -2.513 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: 8, replica: 8 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -29.958840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.958840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.958840 (E_RNA) where: Base-Base interactions energy: -10.119 where: short stacking energy: -10.119 Base-Backbone interact. energy: -0.000 local terms energy: -19.839872 where: bonds (distance) C4'-P energy: -1.518 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -34.582999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.582999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.582999 (E_RNA) where: Base-Base interactions energy: -7.418 where: short stacking energy: -7.418 Base-Backbone interact. energy: -0.009 local terms energy: -27.156049 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -5.844 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: 10, replica: 1 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -32.297432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.297432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.297432 (E_RNA) where: Base-Base interactions energy: -10.110 where: short stacking energy: -10.110 Base-Backbone interact. energy: -0.022 local terms energy: -22.165218 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -2.851 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: 1, replica: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -39.439886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.439886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.439886 (E_RNA) where: Base-Base interactions energy: -12.269 where: short stacking energy: -11.607 Base-Backbone interact. energy: -0.002 local terms energy: -27.169570 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -5.809 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: 2, replica: 3 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -33.844359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.844359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.844359 (E_RNA) where: Base-Base interactions energy: -5.494 where: short stacking energy: -3.502 Base-Backbone interact. energy: -0.038 local terms energy: -28.311674 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -5.788 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: 3, replica: 2 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -35.559135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.559135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.559135 (E_RNA) where: Base-Base interactions energy: -11.924 where: short stacking energy: -11.924 Base-Backbone interact. energy: -0.012 local terms energy: -23.622934 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -33.397696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.397696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.397696 (E_RNA) where: Base-Base interactions energy: -9.250 where: short stacking energy: -9.250 Base-Backbone interact. energy: -0.255 local terms energy: -23.893096 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -37.433483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.433483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.433483 (E_RNA) where: Base-Base interactions energy: -12.426 where: short stacking energy: -12.426 Base-Backbone interact. energy: -0.001 local terms energy: -25.006405 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -33.428487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.428487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.428487 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.029 local terms energy: -25.937258 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -4.149 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: 7, replica: 8 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -30.262839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.262839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.262839 (E_RNA) where: Base-Base interactions energy: -6.300 where: short stacking energy: -7.886 Base-Backbone interact. energy: -0.024 local terms energy: -23.938808 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -32.806379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.806379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.806379 (E_RNA) where: Base-Base interactions energy: -9.652 where: short stacking energy: -9.652 Base-Backbone interact. energy: -0.056 local terms energy: -23.097862 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -3.510 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.713 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: 9, replica: 1 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -30.910740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.910740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.910740 (E_RNA) where: Base-Base interactions energy: -3.835 where: short stacking energy: -3.835 Base-Backbone interact. energy: -0.112 local terms energy: -26.964191 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -5.857 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: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -26.178662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.178662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.178662 (E_RNA) where: Base-Base interactions energy: -3.385 where: short stacking energy: -3.385 Base-Backbone interact. energy: 1.621 local terms energy: -24.413990 where: bonds (distance) C4'-P energy: -4.642 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -42.190442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.190442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.190442 (E_RNA) where: Base-Base interactions energy: -14.138 where: short stacking energy: -9.212 Base-Backbone interact. energy: -0.001 local terms energy: -28.051177 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -38.024093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.024093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.024093 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.206 local terms energy: -25.932537 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -2.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -34.372647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.372647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.372647 (E_RNA) where: Base-Base interactions energy: -10.195 where: short stacking energy: -10.195 Base-Backbone interact. energy: -0.011 local terms energy: -24.165767 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -4.895 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: 4, replica: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -36.991753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.991753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.991753 (E_RNA) where: Base-Base interactions energy: -14.457 where: short stacking energy: -14.457 Base-Backbone interact. energy: -0.002 local terms energy: -22.533153 where: bonds (distance) C4'-P energy: -3.140 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -3.831 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: 10 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -33.878701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.878701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.878701 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -10.552 Base-Backbone interact. energy: -0.085 local terms energy: -22.717834 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -3.772 flat angles P-C4'-P energy: -4.496 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: 6, replica: 8 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -32.252446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.252446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.252446 (E_RNA) where: Base-Base interactions energy: -8.854 where: short stacking energy: -8.854 Base-Backbone interact. energy: -0.006 local terms energy: -23.392531 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -6.154 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: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -26.761091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.761091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.761091 (E_RNA) where: Base-Base interactions energy: -4.979 where: short stacking energy: -4.979 Base-Backbone interact. energy: -0.040 local terms energy: -21.742292 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: 2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -35.163111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.163111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.163111 (E_RNA) where: Base-Base interactions energy: -11.606 where: short stacking energy: -11.606 Base-Backbone interact. energy: -0.000 local terms energy: -23.557255 where: bonds (distance) C4'-P energy: -2.085 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -3.651 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: 4 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -28.345932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.345932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.345932 (E_RNA) where: Base-Base interactions energy: -4.455 where: short stacking energy: -4.455 Base-Backbone interact. energy: -0.725 local terms energy: -23.166008 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: 2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -31.739426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.739426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.739426 (E_RNA) where: Base-Base interactions energy: -9.834 where: short stacking energy: -9.834 Base-Backbone interact. energy: -0.004 local terms energy: -21.901661 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -1.353 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: 1, replica: 2 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -39.371277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.371277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.371277 (E_RNA) where: Base-Base interactions energy: -13.332 where: short stacking energy: -13.332 Base-Backbone interact. energy: -0.000 local terms energy: -26.038718 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -0.985 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -5.350 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: 6 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -36.261423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.261423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.261423 (E_RNA) where: Base-Base interactions energy: -9.095 where: short stacking energy: -9.095 Base-Backbone interact. energy: -0.001 local terms energy: -27.165691 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -5.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -37.792702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.792702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.792702 (E_RNA) where: Base-Base interactions energy: -12.338 where: short stacking energy: -12.338 Base-Backbone interact. energy: -0.005 local terms energy: -25.450097 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -4.852 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: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -33.820691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.820691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.820691 (E_RNA) where: Base-Base interactions energy: -10.162 where: short stacking energy: -10.162 Base-Backbone interact. energy: -0.018 local terms energy: -23.641278 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -31.006639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.006639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.006639 (E_RNA) where: Base-Base interactions energy: -11.434 where: short stacking energy: -11.434 Base-Backbone interact. energy: -0.029 local terms energy: -19.543806 where: bonds (distance) C4'-P energy: -4.229 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -35.093750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.093750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.093750 (E_RNA) where: Base-Base interactions energy: -11.784 where: short stacking energy: -11.784 Base-Backbone interact. energy: -0.096 local terms energy: -23.214085 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -5.643 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -2.565 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: 7, replica: 1 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -32.384450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.384450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.384450 (E_RNA) where: Base-Base interactions energy: -14.501 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.085 local terms energy: -17.798557 where: bonds (distance) C4'-P energy: -2.382 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -0.623 tors. eta vs tors. theta energy: -2.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -36.372475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.372475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.372475 (E_RNA) where: Base-Base interactions energy: -11.515 where: short stacking energy: -11.515 Base-Backbone interact. energy: -0.011 local terms energy: -24.846367 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -3.847 flat angles P-C4'-P energy: -4.421 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: 9, replica: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -31.493688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.493688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.493688 (E_RNA) where: Base-Base interactions energy: -5.907 where: short stacking energy: -5.907 Base-Backbone interact. energy: -0.008 local terms energy: -25.579261 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -28.699195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.699195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.699195 (E_RNA) where: Base-Base interactions energy: -7.927 where: short stacking energy: -7.927 Base-Backbone interact. energy: -0.001 local terms energy: -20.771087 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -2.032 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -39.274937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.274937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.274937 (E_RNA) where: Base-Base interactions energy: -10.763 where: short stacking energy: -10.763 Base-Backbone interact. energy: -0.000 local terms energy: -28.511544 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -5.733 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: 2, replica: 5 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -41.353341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.353341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.353341 (E_RNA) where: Base-Base interactions energy: -13.837 where: short stacking energy: -13.837 Base-Backbone interact. energy: -0.036 local terms energy: -27.480632 where: bonds (distance) C4'-P energy: -4.979 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -5.283 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: 3, replica: 6 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -33.359048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.359048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.359048 (E_RNA) where: Base-Base interactions energy: -8.320 where: short stacking energy: -7.744 Base-Backbone interact. energy: -0.098 local terms energy: -24.941016 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -1.797 tors. eta vs tors. theta energy: -2.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -33.303997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.303997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.303997 (E_RNA) where: Base-Base interactions energy: -8.807 where: short stacking energy: -7.620 Base-Backbone interact. energy: -1.186 local terms energy: -23.311609 where: bonds (distance) C4'-P energy: -3.997 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.695 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: 5, replica: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -38.925389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.925389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.925389 (E_RNA) where: Base-Base interactions energy: -10.842 where: short stacking energy: -10.842 Base-Backbone interact. energy: -0.000 local terms energy: -28.083227 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -4.893 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -4.831 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: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -34.201667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.201667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.201667 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.039 local terms energy: -22.639557 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -3.833 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: 7, replica: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -30.820806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.820806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.820806 (E_RNA) where: Base-Base interactions energy: -7.926 where: short stacking energy: -7.926 Base-Backbone interact. energy: -0.048 local terms energy: -22.847754 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -2.721 flat angles P-C4'-P energy: -6.081 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: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -30.787388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.787388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.787388 (E_RNA) where: Base-Base interactions energy: -8.259 where: short stacking energy: -8.259 Base-Backbone interact. energy: -0.000 local terms energy: -22.528241 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -3.526 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -5.006 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: 9, replica: 9 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -25.321023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.321023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.321023 (E_RNA) where: Base-Base interactions energy: -3.999 where: short stacking energy: -3.999 Base-Backbone interact. energy: 0.794 local terms energy: -22.115849 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: 0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -37.625581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.625581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.625581 (E_RNA) where: Base-Base interactions energy: -7.358 where: short stacking energy: -7.358 Base-Backbone interact. energy: -0.000 local terms energy: -30.267183 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -38.387099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.387099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.387099 (E_RNA) where: Base-Base interactions energy: -12.604 where: short stacking energy: -12.604 Base-Backbone interact. energy: -0.053 local terms energy: -25.729705 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -37.340846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.340846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.340846 (E_RNA) where: Base-Base interactions energy: -10.658 where: short stacking energy: -10.658 Base-Backbone interact. energy: -0.007 local terms energy: -26.676421 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -5.078 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: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -32.630579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.630579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.630579 (E_RNA) where: Base-Base interactions energy: -5.578 where: short stacking energy: -5.578 Base-Backbone interact. energy: -0.127 local terms energy: -26.925589 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -5.653 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: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -34.174271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.174271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.174271 (E_RNA) where: Base-Base interactions energy: -10.167 where: short stacking energy: -10.167 Base-Backbone interact. energy: -0.000 local terms energy: -24.007491 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -3.140 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: 5, replica: 8 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -35.353714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.353714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.353714 (E_RNA) where: Base-Base interactions energy: -9.927 where: short stacking energy: -9.927 Base-Backbone interact. energy: -0.021 local terms energy: -25.405613 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -30.920658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.920658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.920658 (E_RNA) where: Base-Base interactions energy: -6.462 where: short stacking energy: -6.462 Base-Backbone interact. energy: -0.006 local terms energy: -24.452301 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -32.558417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.558417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.558417 (E_RNA) where: Base-Base interactions energy: -10.801 where: short stacking energy: -10.801 Base-Backbone interact. energy: -0.000 local terms energy: -21.757126 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -3.496 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: 10 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -33.373674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.373674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.373674 (E_RNA) where: Base-Base interactions energy: -7.333 where: short stacking energy: -7.333 Base-Backbone interact. energy: -0.092 local terms energy: -25.948360 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -5.058 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: 482 Temperature: 1.300000 Total energy: -31.566273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.566273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.566273 (E_RNA) where: Base-Base interactions energy: -11.656 where: short stacking energy: -11.656 Base-Backbone interact. energy: -0.000 local terms energy: -19.910507 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -0.911 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -4.493 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: 10, replica: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -26.174574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.174574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.174574 (E_RNA) where: Base-Base interactions energy: -5.747 where: short stacking energy: -5.747 Base-Backbone interact. energy: -0.000 local terms energy: -20.427195 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -4.274 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: 1, replica: 5 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -43.961837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.961837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.961837 (E_RNA) where: Base-Base interactions energy: -14.181 where: short stacking energy: -14.181 Base-Backbone interact. energy: -0.008 local terms energy: -29.773085 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -5.871 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: 3 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -36.699116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.699116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.699116 (E_RNA) where: Base-Base interactions energy: -11.924 where: short stacking energy: -11.924 Base-Backbone interact. energy: -0.000 local terms energy: -24.775107 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -4.407 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: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -37.256980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.256980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.256980 (E_RNA) where: Base-Base interactions energy: -9.469 where: short stacking energy: -9.469 Base-Backbone interact. energy: -0.013 local terms energy: -27.774984 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -33.970875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.970875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.970875 (E_RNA) where: Base-Base interactions energy: -7.872 where: short stacking energy: -7.872 Base-Backbone interact. energy: -0.002 local terms energy: -26.096020 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -2.165 tors. eta vs tors. theta energy: -4.727 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: 6 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -36.102965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.102965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.102965 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -10.690 Base-Backbone interact. energy: -0.000 local terms energy: -25.413239 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -5.271 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -34.063420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.063420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.063420 (E_RNA) where: Base-Base interactions energy: -8.863 where: short stacking energy: -8.863 Base-Backbone interact. energy: -0.054 local terms energy: -25.145818 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -5.378 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: 7, replica: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -32.404195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.404195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.404195 (E_RNA) where: Base-Base interactions energy: -7.682 where: short stacking energy: -7.682 Base-Backbone interact. energy: -0.035 local terms energy: -24.687705 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -3.710 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: 8, replica: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -29.875239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.875239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.875239 (E_RNA) where: Base-Base interactions energy: -3.487 where: short stacking energy: -3.487 Base-Backbone interact. energy: -0.077 local terms energy: -26.310545 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -5.011 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: 4 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -28.066667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.066667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.066667 (E_RNA) where: Base-Base interactions energy: -5.905 where: short stacking energy: -5.905 Base-Backbone interact. energy: -0.095 local terms energy: -22.066738 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -0.692 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -28.328986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.328986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.328986 (E_RNA) where: Base-Base interactions energy: -8.961 where: short stacking energy: -8.961 Base-Backbone interact. energy: -0.004 local terms energy: -19.364761 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -3.027 flat angles P-C4'-P energy: -1.807 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -35.651183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.651183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.651183 (E_RNA) where: Base-Base interactions energy: -6.173 where: short stacking energy: -5.263 Base-Backbone interact. energy: -0.000 local terms energy: -29.478304 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -34.406111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.406111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.406111 (E_RNA) where: Base-Base interactions energy: -9.827 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.002 local terms energy: -24.577316 where: bonds (distance) C4'-P energy: -4.184 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.936 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: 3, replica: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -33.288588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.288588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.288588 (E_RNA) where: Base-Base interactions energy: -6.864 where: short stacking energy: -6.864 Base-Backbone interact. energy: -0.000 local terms energy: -26.424107 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -32.848072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.848072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.848072 (E_RNA) where: Base-Base interactions energy: -9.228 where: short stacking energy: -9.228 Base-Backbone interact. energy: -0.110 local terms energy: -23.509557 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: 1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -39.016083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.016083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.016083 (E_RNA) where: Base-Base interactions energy: -9.026 where: short stacking energy: -9.026 Base-Backbone interact. energy: -0.000 local terms energy: -29.989669 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -6.023 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: 6, replica: 6 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -29.969111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.969111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.969111 (E_RNA) where: Base-Base interactions energy: -8.459 where: short stacking energy: -6.852 Base-Backbone interact. energy: -0.006 local terms energy: -21.504433 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -2.558 flat angles P-C4'-P energy: -5.013 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: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -33.274694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.274694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.274694 (E_RNA) where: Base-Base interactions energy: -8.861 where: short stacking energy: -7.614 Base-Backbone interact. energy: -0.056 local terms energy: -24.357548 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -4.649 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: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -28.976678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.976678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.976678 (E_RNA) where: Base-Base interactions energy: -5.495 where: short stacking energy: -4.373 Base-Backbone interact. energy: -0.003 local terms energy: -23.478252 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.335 flat angles P-C4'-P energy: -4.877 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: 9, replica: 9 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -30.016377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.016377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.016377 (E_RNA) where: Base-Base interactions energy: -4.342 where: short stacking energy: -4.342 Base-Backbone interact. energy: -0.034 local terms energy: -25.640141 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -5.193 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: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -26.178411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.178411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.178411 (E_RNA) where: Base-Base interactions energy: -4.151 where: short stacking energy: -4.151 Base-Backbone interact. energy: -0.000 local terms energy: -22.026880 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -3.094 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -43.329616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.329616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.329616 (E_RNA) where: Base-Base interactions energy: -12.328 where: short stacking energy: -12.328 Base-Backbone interact. energy: -0.000 local terms energy: -31.001269 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.278 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: 8 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -42.140811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.140811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.140811 (E_RNA) where: Base-Base interactions energy: -13.999 where: short stacking energy: -13.999 Base-Backbone interact. energy: -0.001 local terms energy: -28.140932 where: bonds (distance) C4'-P energy: -4.246 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -34.466422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.466422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.466422 (E_RNA) where: Base-Base interactions energy: -11.382 where: short stacking energy: -9.149 Base-Backbone interact. energy: -0.077 local terms energy: -23.007329 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.444 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: 4, replica: 7 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -35.474987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.474987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.474987 (E_RNA) where: Base-Base interactions energy: -12.870 where: short stacking energy: -12.870 Base-Backbone interact. energy: -0.106 local terms energy: -22.499553 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -4.611 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: 5, replica: 2 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -35.152771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.152771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.152771 (E_RNA) where: Base-Base interactions energy: -11.229 where: short stacking energy: -11.229 Base-Backbone interact. energy: -0.074 local terms energy: -23.849091 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -3.866 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: 6, replica: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -38.065546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.065546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.065546 (E_RNA) where: Base-Base interactions energy: -12.687 where: short stacking energy: -12.687 Base-Backbone interact. energy: -0.000 local terms energy: -25.378099 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -31.038434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.038434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.038434 (E_RNA) where: Base-Base interactions energy: -5.033 where: short stacking energy: -5.033 Base-Backbone interact. energy: -0.061 local terms energy: -25.944071 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -4.540 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: 8, replica: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -32.227539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.227539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.227539 (E_RNA) where: Base-Base interactions energy: -7.550 where: short stacking energy: -7.550 Base-Backbone interact. energy: -0.015 local terms energy: -24.661848 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -4.949 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: 9, replica: 1 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -31.370293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.370293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.370293 (E_RNA) where: Base-Base interactions energy: -4.978 where: short stacking energy: -5.678 Base-Backbone interact. energy: -0.001 local terms energy: -26.391799 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -4.766 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: 10, replica: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -29.021327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.021327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.021327 (E_RNA) where: Base-Base interactions energy: -8.207 where: short stacking energy: -8.207 Base-Backbone interact. energy: -0.006 local terms energy: -20.808976 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -0.824 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: 1, replica: 8 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -37.371476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.371476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.371476 (E_RNA) where: Base-Base interactions energy: -9.679 where: short stacking energy: -9.679 Base-Backbone interact. energy: -0.052 local terms energy: -27.640088 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -1.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -34.805691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.805691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.805691 (E_RNA) where: Base-Base interactions energy: -7.863 where: short stacking energy: -7.863 Base-Backbone interact. energy: -0.004 local terms energy: -26.938407 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -5.709 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: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -34.330395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.330395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.330395 (E_RNA) where: Base-Base interactions energy: -11.530 where: short stacking energy: -11.530 Base-Backbone interact. energy: -0.000 local terms energy: -22.800765 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -3.398 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: 4, replica: 5 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -33.281884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.281884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.281884 (E_RNA) where: Base-Base interactions energy: -9.662 where: short stacking energy: -9.662 Base-Backbone interact. energy: -0.030 local terms energy: -23.590314 where: bonds (distance) C4'-P energy: -6.329 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -7.485 flat angles P-C4'-P energy: -4.143 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: 5, replica: 2 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -38.228029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.228029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.228029 (E_RNA) where: Base-Base interactions energy: -11.179 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.000 local terms energy: -27.049125 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -4.281 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: 6, replica: 10 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -32.571741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.571741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.571741 (E_RNA) where: Base-Base interactions energy: -10.339 where: short stacking energy: -10.339 Base-Backbone interact. energy: -0.005 local terms energy: -22.227630 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.759 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: 7, replica: 6 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -34.272359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.272359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.272359 (E_RNA) where: Base-Base interactions energy: -8.347 where: short stacking energy: -8.347 Base-Backbone interact. energy: -0.033 local terms energy: -25.891955 where: bonds (distance) C4'-P energy: -5.819 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -5.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -28.515076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.515076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.515076 (E_RNA) where: Base-Base interactions energy: -7.333 where: short stacking energy: -7.333 Base-Backbone interact. energy: -0.255 local terms energy: -20.926691 where: bonds (distance) C4'-P energy: -3.881 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -3.623 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: 9, replica: 1 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -33.182102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.182102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.182102 (E_RNA) where: Base-Base interactions energy: -9.434 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.044 local terms energy: -23.704430 where: bonds (distance) C4'-P energy: -3.630 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -3.358 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: 10, replica: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -28.842670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.842670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.842670 (E_RNA) where: Base-Base interactions energy: -9.545 where: short stacking energy: -9.545 Base-Backbone interact. energy: -0.008 local terms energy: -19.289001 where: bonds (distance) C4'-P energy: -1.100 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -2.583 tors. eta vs tors. theta energy: -4.295 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: 1, replica: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -34.022294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.022294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.022294 (E_RNA) where: Base-Base interactions energy: -10.381 where: short stacking energy: -10.381 Base-Backbone interact. energy: -0.110 local terms energy: -23.531156 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -5.983 tors. eta vs tors. theta energy: -1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -41.390767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.390767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.390767 (E_RNA) where: Base-Base interactions energy: -13.183 where: short stacking energy: -13.183 Base-Backbone interact. energy: -0.000 local terms energy: -28.207764 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -3.286 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: 3, replica: 7 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -37.211986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.211986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.211986 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -10.246 Base-Backbone interact. energy: -0.008 local terms energy: -26.958132 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -5.908 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: 4, replica: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -34.827681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.827681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.827681 (E_RNA) where: Base-Base interactions energy: -6.944 where: short stacking energy: -6.944 Base-Backbone interact. energy: -0.000 local terms energy: -27.883479 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -3.651 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: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -31.476014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.476014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.476014 (E_RNA) where: Base-Base interactions energy: -4.768 where: short stacking energy: -4.768 Base-Backbone interact. energy: -0.008 local terms energy: -26.700189 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -4.082 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: 6, replica: 10 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -36.018984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.018984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.018984 (E_RNA) where: Base-Base interactions energy: -6.596 where: short stacking energy: -6.596 Base-Backbone interact. energy: -0.000 local terms energy: -29.422956 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -28.811224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.811224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.811224 (E_RNA) where: Base-Base interactions energy: -8.039 where: short stacking energy: -8.039 Base-Backbone interact. energy: 1.111 local terms energy: -21.883896 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: 1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -31.462638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.462638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.462638 (E_RNA) where: Base-Base interactions energy: -9.704 where: short stacking energy: -6.678 Base-Backbone interact. energy: -0.019 local terms energy: -21.739534 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -28.812826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.812826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.812826 (E_RNA) where: Base-Base interactions energy: -7.840 where: short stacking energy: -6.229 Base-Backbone interact. energy: -0.002 local terms energy: -20.971042 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -2.465 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: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -28.204529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.204529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.204529 (E_RNA) where: Base-Base interactions energy: -3.362 where: short stacking energy: -3.362 Base-Backbone interact. energy: -0.238 local terms energy: -24.604587 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -2.138 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: 3 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -37.056578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.056578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.056578 (E_RNA) where: Base-Base interactions energy: -8.487 where: short stacking energy: -8.487 Base-Backbone interact. energy: -0.012 local terms energy: -28.558082 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -4.295 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: 2, replica: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -40.942656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.942656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.942656 (E_RNA) where: Base-Base interactions energy: -14.548 where: short stacking energy: -14.548 Base-Backbone interact. energy: -0.000 local terms energy: -26.395017 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.163 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -34.000823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.000823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.000823 (E_RNA) where: Base-Base interactions energy: -7.604 where: short stacking energy: -5.780 Base-Backbone interact. energy: -0.909 local terms energy: -25.487719 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -4.979 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: 488 Temperature: 1.050000 Total energy: -36.189784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.189784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.189784 (E_RNA) where: Base-Base interactions energy: -9.812 where: short stacking energy: -9.812 Base-Backbone interact. energy: -0.002 local terms energy: -26.375608 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -1.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -33.346858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.346858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.346858 (E_RNA) where: Base-Base interactions energy: -8.638 where: short stacking energy: -8.638 Base-Backbone interact. energy: -0.001 local terms energy: -24.708684 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -34.813285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.813285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.813285 (E_RNA) where: Base-Base interactions energy: -9.367 where: short stacking energy: -9.367 Base-Backbone interact. energy: -0.000 local terms energy: -25.446442 where: bonds (distance) C4'-P energy: -3.302 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -31.137478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.137478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.137478 (E_RNA) where: Base-Base interactions energy: -9.680 where: short stacking energy: -9.680 Base-Backbone interact. energy: -0.093 local terms energy: -21.364420 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -0.059 tors. eta vs tors. theta energy: -2.407 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: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -32.122066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.122066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.122066 (E_RNA) where: Base-Base interactions energy: -9.121 where: short stacking energy: -9.121 Base-Backbone interact. energy: -0.172 local terms energy: -22.829176 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -2.580 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: 9, replica: 4 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -27.454694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.454694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.454694 (E_RNA) where: Base-Base interactions energy: -4.758 where: short stacking energy: -4.758 Base-Backbone interact. energy: -0.001 local terms energy: -22.696399 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -5.339 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: 10, replica: 9 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -26.638391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.638391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.638391 (E_RNA) where: Base-Base interactions energy: -5.014 where: short stacking energy: -3.468 Base-Backbone interact. energy: -0.147 local terms energy: -21.477222 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -4.086 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: 1, replica: 3 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -41.011576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.011576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.011576 (E_RNA) where: Base-Base interactions energy: -13.464 where: short stacking energy: -13.464 Base-Backbone interact. energy: -0.001 local terms energy: -27.546990 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -37.406832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.406832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.406832 (E_RNA) where: Base-Base interactions energy: -11.369 where: short stacking energy: -11.369 Base-Backbone interact. energy: -0.009 local terms energy: -26.028325 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -2.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -35.386486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.386486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.386486 (E_RNA) where: Base-Base interactions energy: -10.569 where: short stacking energy: -10.569 Base-Backbone interact. energy: -0.109 local terms energy: -24.708680 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: 1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -33.358351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.358351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.358351 (E_RNA) where: Base-Base interactions energy: -6.186 where: short stacking energy: -6.186 Base-Backbone interact. energy: -0.004 local terms energy: -27.168672 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -5.500 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: 5, replica: 7 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -35.062963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.062963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.062963 (E_RNA) where: Base-Base interactions energy: -8.395 where: short stacking energy: -8.395 Base-Backbone interact. energy: -0.000 local terms energy: -26.668362 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -4.752 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: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -33.493587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.493587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.493587 (E_RNA) where: Base-Base interactions energy: -8.128 where: short stacking energy: -8.128 Base-Backbone interact. energy: -0.000 local terms energy: -25.365925 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -32.355978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.355978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.355978 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -6.573 Base-Backbone interact. energy: -0.879 local terms energy: -23.929150 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -3.620 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -32.358727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.358727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.358727 (E_RNA) where: Base-Base interactions energy: -9.434 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.091 local terms energy: -22.833240 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -3.506 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: 9, replica: 1 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -31.572080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.572080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.572080 (E_RNA) where: Base-Base interactions energy: -10.746 where: short stacking energy: -10.746 Base-Backbone interact. energy: -0.117 local terms energy: -20.709839 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -5.688 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -3.161 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: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -28.428741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.428741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.428741 (E_RNA) where: Base-Base interactions energy: -6.730 where: short stacking energy: -6.730 Base-Backbone interact. energy: -0.015 local terms energy: -21.683717 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.525 flat angles P-C4'-P energy: -5.716 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: 1, replica: 3 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -46.116956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.116956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.116956 (E_RNA) where: Base-Base interactions energy: -15.803 where: short stacking energy: -15.803 Base-Backbone interact. energy: -0.000 local terms energy: -30.313623 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -41.438369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.438369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.438369 (E_RNA) where: Base-Base interactions energy: -13.403 where: short stacking energy: -13.403 Base-Backbone interact. energy: -0.003 local terms energy: -28.032807 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -4.721 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: 3, replica: 8 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -42.134799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.134799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.134799 (E_RNA) where: Base-Base interactions energy: -16.183 where: short stacking energy: -16.183 Base-Backbone interact. energy: -0.003 local terms energy: -25.948663 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -5.696 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: 4, replica: 5 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -30.873976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.873976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.873976 (E_RNA) where: Base-Base interactions energy: -7.900 where: short stacking energy: -8.300 Base-Backbone interact. energy: -0.124 local terms energy: -22.850389 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -0.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -34.401268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.401268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.401268 (E_RNA) where: Base-Base interactions energy: -10.925 where: short stacking energy: -10.925 Base-Backbone interact. energy: -0.000 local terms energy: -23.475424 where: bonds (distance) C4'-P energy: -4.142 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -5.484 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: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -33.345945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.345945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.345945 (E_RNA) where: Base-Base interactions energy: -9.475 where: short stacking energy: -8.969 Base-Backbone interact. energy: -0.006 local terms energy: -23.864745 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.285 tors. eta vs tors. theta energy: -5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -32.381000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.381000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.381000 (E_RNA) where: Base-Base interactions energy: -5.854 where: short stacking energy: -5.854 Base-Backbone interact. energy: -0.000 local terms energy: -26.526813 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -29.428757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.428757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.428757 (E_RNA) where: Base-Base interactions energy: -5.194 where: short stacking energy: -5.314 Base-Backbone interact. energy: -0.001 local terms energy: -24.233698 where: bonds (distance) C4'-P energy: -5.963 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -31.171245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.171245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.171245 (E_RNA) where: Base-Base interactions energy: -6.275 where: short stacking energy: -6.275 Base-Backbone interact. energy: -0.003 local terms energy: -24.893080 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -33.313316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.313316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.313316 (E_RNA) where: Base-Base interactions energy: -8.185 where: short stacking energy: -8.185 Base-Backbone interact. energy: -0.002 local terms energy: -25.125746 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -3.977 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: 1, replica: 3 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -38.538090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.538090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.538090 (E_RNA) where: Base-Base interactions energy: -10.760 where: short stacking energy: -10.760 Base-Backbone interact. energy: -0.000 local terms energy: -27.777923 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.278 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: 8 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -38.598457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.598457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.598457 (E_RNA) where: Base-Base interactions energy: -13.981 where: short stacking energy: -13.981 Base-Backbone interact. energy: -0.000 local terms energy: -24.617877 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -1.665 tors. eta vs tors. theta energy: -4.636 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: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -36.567927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.567927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.567927 (E_RNA) where: Base-Base interactions energy: -12.178 where: short stacking energy: -12.178 Base-Backbone interact. energy: -0.045 local terms energy: -24.344673 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -3.473 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -5.567 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: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -39.093994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.093994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.093994 (E_RNA) where: Base-Base interactions energy: -13.314 where: short stacking energy: -13.314 Base-Backbone interact. energy: -0.000 local terms energy: -25.780179 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -3.241 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: 5, replica: 5 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -34.910585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.910585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.910585 (E_RNA) where: Base-Base interactions energy: -6.354 where: short stacking energy: -6.354 Base-Backbone interact. energy: -0.006 local terms energy: -28.550371 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -4.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -30.738731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.738731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.738731 (E_RNA) where: Base-Base interactions energy: -11.784 where: short stacking energy: -11.784 Base-Backbone interact. energy: -0.126 local terms energy: -18.829086 where: bonds (distance) C4'-P energy: -5.963 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: 0.259 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -31.394230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.394230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.394230 (E_RNA) where: Base-Base interactions energy: -6.487 where: short stacking energy: -6.487 Base-Backbone interact. energy: -0.047 local terms energy: -24.860914 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -2.772 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: 9 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -33.033291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.033291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.033291 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.001 local terms energy: -22.528073 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -4.464 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: 9, replica: 10 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -27.594706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.594706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.594706 (E_RNA) where: Base-Base interactions energy: -6.389 where: short stacking energy: -6.389 Base-Backbone interact. energy: -1.118 local terms energy: -20.088207 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: 0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -29.178452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.178452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.178452 (E_RNA) where: Base-Base interactions energy: -6.223 where: short stacking energy: -6.223 Base-Backbone interact. energy: -0.020 local terms energy: -22.935875 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.747 flat angles P-C4'-P energy: -4.027 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: 1, replica: 3 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -42.570811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.570811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.570811 (E_RNA) where: Base-Base interactions energy: -13.828 where: short stacking energy: -13.828 Base-Backbone interact. energy: -0.001 local terms energy: -28.741048 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -5.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -34.116165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.116165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.116165 (E_RNA) where: Base-Base interactions energy: -12.192 where: short stacking energy: -12.192 Base-Backbone interact. energy: -0.000 local terms energy: -21.923366 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -37.042439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.042439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.042439 (E_RNA) where: Base-Base interactions energy: -10.697 where: short stacking energy: -10.697 Base-Backbone interact. energy: -0.157 local terms energy: -26.188499 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -32.650212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.650212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.650212 (E_RNA) where: Base-Base interactions energy: -7.759 where: short stacking energy: -7.524 Base-Backbone interact. energy: -0.001 local terms energy: -24.890793 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.657 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: 5, replica: 4 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -39.740674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.740674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.740674 (E_RNA) where: Base-Base interactions energy: -15.205 where: short stacking energy: -15.205 Base-Backbone interact. energy: -0.006 local terms energy: -24.529970 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -0.785 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: 6, replica: 5 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -33.036345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.036345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.036345 (E_RNA) where: Base-Base interactions energy: -9.514 where: short stacking energy: -9.514 Base-Backbone interact. energy: -0.000 local terms energy: -23.521891 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -3.394 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -2.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -33.588598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.588598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.588598 (E_RNA) where: Base-Base interactions energy: -4.400 where: short stacking energy: -4.400 Base-Backbone interact. energy: -0.081 local terms energy: -29.107521 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -35.804280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.804280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.804280 (E_RNA) where: Base-Base interactions energy: -8.723 where: short stacking energy: -8.723 Base-Backbone interact. energy: -0.005 local terms energy: -27.077035 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -5.488 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -29.403507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.403507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.403507 (E_RNA) where: Base-Base interactions energy: -8.573 where: short stacking energy: -5.637 Base-Backbone interact. energy: -0.013 local terms energy: -20.817533 where: bonds (distance) C4'-P energy: -6.598 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -2.081 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: 492 Temperature: 1.350000 Total energy: -27.406264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.406264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.406264 (E_RNA) where: Base-Base interactions energy: -6.767 where: short stacking energy: -6.767 Base-Backbone interact. energy: -0.316 local terms energy: -20.323679 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -3.118 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: 1, replica: 3 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -35.686777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.686777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.686777 (E_RNA) where: Base-Base interactions energy: -9.439 where: short stacking energy: -9.439 Base-Backbone interact. energy: -0.101 local terms energy: -26.146810 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -4.212 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: 2, replica: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -33.845870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845870 (E_RNA) where: Base-Base interactions energy: -8.141 where: short stacking energy: -8.141 Base-Backbone interact. energy: 0.587 local terms energy: -26.292024 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -41.379474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.379474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.379474 (E_RNA) where: Base-Base interactions energy: -13.135 where: short stacking energy: -13.135 Base-Backbone interact. energy: -0.000 local terms energy: -28.244177 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -37.354655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.354655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.354655 (E_RNA) where: Base-Base interactions energy: -10.316 where: short stacking energy: -9.997 Base-Backbone interact. energy: -0.102 local terms energy: -26.936712 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -5.304 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: 5, replica: 4 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -36.979277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.979277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.979277 (E_RNA) where: Base-Base interactions energy: -14.497 where: short stacking energy: -14.497 Base-Backbone interact. energy: -0.171 local terms energy: -22.310958 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -2.327 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: 9 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -31.826814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.826814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.826814 (E_RNA) where: Base-Base interactions energy: -10.936 where: short stacking energy: -10.936 Base-Backbone interact. energy: 0.102 local terms energy: -20.992794 where: bonds (distance) C4'-P energy: -4.801 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.069 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: 7, replica: 5 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -28.228027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.228027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.228027 (E_RNA) where: Base-Base interactions energy: -7.000 where: short stacking energy: -7.000 Base-Backbone interact. energy: -0.010 local terms energy: -21.217911 where: bonds (distance) C4'-P energy: -5.023 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -4.509 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: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -27.256808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.256808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.256808 (E_RNA) where: Base-Base interactions energy: -5.200 where: short stacking energy: -5.200 Base-Backbone interact. energy: -0.004 local terms energy: -22.052839 where: bonds (distance) C4'-P energy: -3.720 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -3.518 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: 9, replica: 7 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -26.250179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.250179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.250179 (E_RNA) where: Base-Base interactions energy: -2.446 where: short stacking energy: -2.446 Base-Backbone interact. energy: -0.015 local terms energy: -23.789583 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: 1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -31.327492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.327492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.327492 (E_RNA) where: Base-Base interactions energy: -3.203 where: short stacking energy: -3.203 Base-Backbone interact. energy: -0.000 local terms energy: -28.124263 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -38.135454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.135454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.135454 (E_RNA) where: Base-Base interactions energy: -11.024 where: short stacking energy: -11.024 Base-Backbone interact. energy: -0.007 local terms energy: -27.104784 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -5.427 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: 494 Temperature: 0.950000 Total energy: -41.165223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.165223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.165223 (E_RNA) where: Base-Base interactions energy: -14.032 where: short stacking energy: -12.397 Base-Backbone interact. energy: -0.033 local terms energy: -27.100667 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -36.114932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.114932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.114932 (E_RNA) where: Base-Base interactions energy: -9.363 where: short stacking energy: -9.363 Base-Backbone interact. energy: -0.046 local terms energy: -26.705018 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -3.984 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: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -31.256921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.256921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.256921 (E_RNA) where: Base-Base interactions energy: -7.602 where: short stacking energy: -7.602 Base-Backbone interact. energy: -0.230 local terms energy: -23.425324 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -4.824 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.628 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: 5, replica: 9 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -34.838602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.838602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.838602 (E_RNA) where: Base-Base interactions energy: -7.611 where: short stacking energy: -7.611 Base-Backbone interact. energy: -0.001 local terms energy: -27.226552 where: bonds (distance) C4'-P energy: -4.676 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -35.290488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.290488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.290488 (E_RNA) where: Base-Base interactions energy: -8.268 where: short stacking energy: -8.268 Base-Backbone interact. energy: -0.002 local terms energy: -27.019821 where: bonds (distance) C4'-P energy: -6.216 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -4.853 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: 7, replica: 1 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -30.230581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.230581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.230581 (E_RNA) where: Base-Base interactions energy: -5.278 where: short stacking energy: -5.278 Base-Backbone interact. energy: -0.157 local terms energy: -24.795750 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -3.591 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: 5 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -29.774911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.774911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.774911 (E_RNA) where: Base-Base interactions energy: -4.823 where: short stacking energy: -4.823 Base-Backbone interact. energy: -0.026 local terms energy: -24.925564 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -5.361 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: 9, replica: 10 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -31.594315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.594315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.594315 (E_RNA) where: Base-Base interactions energy: -7.787 where: short stacking energy: -7.787 Base-Backbone interact. energy: -0.263 local terms energy: -23.543746 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -4.014 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: 10, replica: 7 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -29.832519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.832519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.832519 (E_RNA) where: Base-Base interactions energy: -7.884 where: short stacking energy: -7.884 Base-Backbone interact. energy: -0.011 local terms energy: -21.937371 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -2.281 tors. eta vs tors. theta energy: 1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -42.375259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.375259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.375259 (E_RNA) where: Base-Base interactions energy: -14.433 where: short stacking energy: -14.433 Base-Backbone interact. energy: -0.001 local terms energy: -27.941476 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -34.820018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.820018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.820018 (E_RNA) where: Base-Base interactions energy: -7.823 where: short stacking energy: -7.823 Base-Backbone interact. energy: -0.042 local terms energy: -26.955200 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -4.195 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: 3, replica: 3 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -36.375997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.375997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.375997 (E_RNA) where: Base-Base interactions energy: -7.357 where: short stacking energy: -7.357 Base-Backbone interact. energy: -0.000 local terms energy: -29.019461 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -33.695233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.695233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.695233 (E_RNA) where: Base-Base interactions energy: -11.706 where: short stacking energy: -11.706 Base-Backbone interact. energy: -0.116 local terms energy: -21.872999 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -4.054 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: 5, replica: 8 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -33.631083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.631083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.631083 (E_RNA) where: Base-Base interactions energy: -7.256 where: short stacking energy: -7.256 Base-Backbone interact. energy: -0.037 local terms energy: -26.338568 where: bonds (distance) C4'-P energy: -5.231 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -30.527550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.527550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.527550 (E_RNA) where: Base-Base interactions energy: -7.431 where: short stacking energy: -7.431 Base-Backbone interact. energy: -0.004 local terms energy: -23.092177 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -4.993 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: 7, replica: 4 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -34.555482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.555482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.555482 (E_RNA) where: Base-Base interactions energy: -7.193 where: short stacking energy: -7.193 Base-Backbone interact. energy: -0.028 local terms energy: -27.333826 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -27.997234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.997234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.997234 (E_RNA) where: Base-Base interactions energy: -6.209 where: short stacking energy: -6.209 Base-Backbone interact. energy: -0.001 local terms energy: -21.787263 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: 0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -28.209955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.209955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.209955 (E_RNA) where: Base-Base interactions energy: -7.797 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.000 local terms energy: -20.412521 where: bonds (distance) C4'-P energy: -3.873 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: 1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -26.692991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.692991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.692991 (E_RNA) where: Base-Base interactions energy: -3.582 where: short stacking energy: -3.582 Base-Backbone interact. energy: -0.020 local terms energy: -23.091568 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -5.604 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: 496 Temperature: 0.900000 Total energy: -42.791086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.791086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.791086 (E_RNA) where: Base-Base interactions energy: -14.276 where: short stacking energy: -14.276 Base-Backbone interact. energy: -0.047 local terms energy: -28.468649 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -42.573924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.573924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.573924 (E_RNA) where: Base-Base interactions energy: -14.051 where: short stacking energy: -14.051 Base-Backbone interact. energy: -0.000 local terms energy: -28.522342 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -3.212 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: 9 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -36.365213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.365213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.365213 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: -0.000 local terms energy: -24.943607 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -33.970735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.970735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.970735 (E_RNA) where: Base-Base interactions energy: -9.896 where: short stacking energy: -9.896 Base-Backbone interact. energy: -0.006 local terms energy: -24.069353 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -38.491810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.491810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.491810 (E_RNA) where: Base-Base interactions energy: -13.189 where: short stacking energy: -13.189 Base-Backbone interact. energy: -0.001 local terms energy: -25.302219 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.513 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -3.229 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: 6, replica: 1 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -36.624979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.624979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.624979 (E_RNA) where: Base-Base interactions energy: -10.673 where: short stacking energy: -10.673 Base-Backbone interact. energy: -0.086 local terms energy: -25.866427 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -4.979 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: 7, replica: 10 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -29.386132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.386132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.386132 (E_RNA) where: Base-Base interactions energy: -10.708 where: short stacking energy: -7.998 Base-Backbone interact. energy: -0.023 local terms energy: -18.655354 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.287 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: 0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -28.889695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.889695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.889695 (E_RNA) where: Base-Base interactions energy: -9.944 where: short stacking energy: -10.844 Base-Backbone interact. energy: -0.031 local terms energy: -18.915152 where: bonds (distance) C4'-P energy: -2.338 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -3.553 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: 9, replica: 7 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -33.617794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.617794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.617794 (E_RNA) where: Base-Base interactions energy: -12.954 where: short stacking energy: -12.954 Base-Backbone interact. energy: -0.026 local terms energy: -20.637586 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -4.855 flat angles C4'-P-C4' energy: -2.864 flat angles P-C4'-P energy: -5.716 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: 10, replica: 5 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -28.721321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.721321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.721321 (E_RNA) where: Base-Base interactions energy: -7.932 where: short stacking energy: -8.032 Base-Backbone interact. energy: -0.006 local terms energy: -20.782984 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -1.383 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -3.649 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: 1, replica: 2 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -41.730150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.730150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.730150 (E_RNA) where: Base-Base interactions energy: -13.442 where: short stacking energy: -13.442 Base-Backbone interact. energy: -0.078 local terms energy: -28.209946 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -39.510664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.510664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.510664 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.000 local terms energy: -28.811024 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -5.788 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: 3, replica: 6 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -36.400811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.400811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.400811 (E_RNA) where: Base-Base interactions energy: -11.081 where: short stacking energy: -11.081 Base-Backbone interact. energy: -0.017 local terms energy: -25.303297 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -2.813 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -34.222280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.222280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.222280 (E_RNA) where: Base-Base interactions energy: -8.518 where: short stacking energy: -8.518 Base-Backbone interact. energy: -0.105 local terms energy: -25.599274 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -32.511805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.511805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.511805 (E_RNA) where: Base-Base interactions energy: -10.951 where: short stacking energy: -10.951 Base-Backbone interact. energy: -0.037 local terms energy: -21.524328 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -3.089 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: 6, replica: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -32.724140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.724140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.724140 (E_RNA) where: Base-Base interactions energy: -7.349 where: short stacking energy: -7.349 Base-Backbone interact. energy: -0.026 local terms energy: -25.349040 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -3.839 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: 7, replica: 1 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -33.698718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.698718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.698718 (E_RNA) where: Base-Base interactions energy: -8.791 where: short stacking energy: -8.791 Base-Backbone interact. energy: -0.034 local terms energy: -24.874217 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -0.860 tors. eta vs tors. theta energy: -5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -28.782806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.782806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.782806 (E_RNA) where: Base-Base interactions energy: -3.744 where: short stacking energy: -3.744 Base-Backbone interact. energy: -0.090 local terms energy: -24.948696 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -3.588 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: 4 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -29.484013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.484013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.484013 (E_RNA) where: Base-Base interactions energy: -6.267 where: short stacking energy: -6.267 Base-Backbone interact. energy: -0.000 local terms energy: -23.217407 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -28.605287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.605287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.605287 (E_RNA) where: Base-Base interactions energy: -6.842 where: short stacking energy: -6.842 Base-Backbone interact. energy: -0.000 local terms energy: -21.763310 where: bonds (distance) C4'-P energy: -5.048 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -39.820649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.820649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.820649 (E_RNA) where: Base-Base interactions energy: -13.066 where: short stacking energy: -11.110 Base-Backbone interact. energy: -2.518 local terms energy: -24.236869 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -4.566 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -6.527 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: 2, replica: 2 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -36.097616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.097616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.097616 (E_RNA) where: Base-Base interactions energy: -9.670 where: short stacking energy: -9.670 Base-Backbone interact. energy: -0.000 local terms energy: -26.427291 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.694 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: 3, replica: 8 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -37.299999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.299999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.299999 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.093 local terms energy: -25.894259 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.808 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: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -30.869952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.869952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.869952 (E_RNA) where: Base-Base interactions energy: -6.123 where: short stacking energy: -6.123 Base-Backbone interact. energy: -0.019 local terms energy: -24.728186 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -30.650976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.650976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.650976 (E_RNA) where: Base-Base interactions energy: -8.937 where: short stacking energy: -7.651 Base-Backbone interact. energy: -0.097 local terms energy: -21.616326 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.653 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: 6, replica: 3 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -30.384319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.384319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.384319 (E_RNA) where: Base-Base interactions energy: -5.161 where: short stacking energy: -5.161 Base-Backbone interact. energy: -0.001 local terms energy: -25.223087 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.532 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -4.308 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: 7 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -35.105766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.105766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.105766 (E_RNA) where: Base-Base interactions energy: -10.259 where: short stacking energy: -10.259 Base-Backbone interact. energy: -0.060 local terms energy: -24.786237 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -2.686 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: 1 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -30.591106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.591106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.591106 (E_RNA) where: Base-Base interactions energy: -12.293 where: short stacking energy: -11.632 Base-Backbone interact. energy: -0.042 local terms energy: -18.255923 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -2.154 tors. eta vs tors. theta energy: 0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -26.651471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.651471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.651471 (E_RNA) where: Base-Base interactions energy: -3.618 where: short stacking energy: -3.618 Base-Backbone interact. energy: -0.038 local terms energy: -22.995347 where: bonds (distance) C4'-P energy: -5.396 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.675 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: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -28.027801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.027801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.027801 (E_RNA) where: Base-Base interactions energy: -5.799 where: short stacking energy: -5.799 Base-Backbone interact. energy: -0.007 local terms energy: -22.221295 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -2.328 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -32.421059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.421059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.421059 (E_RNA) where: Base-Base interactions energy: -7.412 where: short stacking energy: -7.412 Base-Backbone interact. energy: -0.048 local terms energy: -24.961562 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -40.092286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.092286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.092286 (E_RNA) where: Base-Base interactions energy: -13.065 where: short stacking energy: -13.065 Base-Backbone interact. energy: -0.014 local terms energy: -27.013131 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -36.548634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.548634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.548634 (E_RNA) where: Base-Base interactions energy: -11.444 where: short stacking energy: -11.444 Base-Backbone interact. energy: -0.069 local terms energy: -25.036482 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.961 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: 4, replica: 10 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -32.891942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.891942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.891942 (E_RNA) where: Base-Base interactions energy: -9.411 where: short stacking energy: -9.411 Base-Backbone interact. energy: -0.063 local terms energy: -23.417805 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -6.735 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -30.086589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.086589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.086589 (E_RNA) where: Base-Base interactions energy: -9.295 where: short stacking energy: -9.295 Base-Backbone interact. energy: 0.021 local terms energy: -20.812846 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -2.730 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: 6, replica: 7 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -30.314824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.314824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.314824 (E_RNA) where: Base-Base interactions energy: -5.507 where: short stacking energy: -5.304 Base-Backbone interact. energy: -0.000 local terms energy: -24.808289 where: bonds (distance) C4'-P energy: -4.474 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -3.164 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: 7, replica: 3 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -34.581004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.581004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.581004 (E_RNA) where: Base-Base interactions energy: -10.435 where: short stacking energy: -10.435 Base-Backbone interact. energy: -0.016 local terms energy: -24.130043 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -5.076 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: 8, replica: 5 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -28.762789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.762789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.762789 (E_RNA) where: Base-Base interactions energy: -4.125 where: short stacking energy: -4.732 Base-Backbone interact. energy: -0.118 local terms energy: -24.519341 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -6.134 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: 9, replica: 1 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -27.607750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.607750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.607750 (E_RNA) where: Base-Base interactions energy: -3.387 where: short stacking energy: -3.387 Base-Backbone interact. energy: 0.653 local terms energy: -24.873481 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -5.062 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: 10, replica: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -31.188859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.188859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.188859 (E_RNA) where: Base-Base interactions energy: -8.180 where: short stacking energy: -8.180 Base-Backbone interact. energy: 0.226 local terms energy: -23.234305 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -5.363 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: 1, replica: 2 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -37.434508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.434508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.434508 (E_RNA) where: Base-Base interactions energy: -15.110 where: short stacking energy: -15.110 Base-Backbone interact. energy: -0.000 local terms energy: -22.324338 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -0.650 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: 2, replica: 9 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -38.638260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.638260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.638260 (E_RNA) where: Base-Base interactions energy: -13.919 where: short stacking energy: -13.919 Base-Backbone interact. energy: -0.001 local terms energy: -24.718080 where: bonds (distance) C4'-P energy: -4.424 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -4.607 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: 3, replica: 10 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -35.278673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.278673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.278673 (E_RNA) where: Base-Base interactions energy: -13.445 where: short stacking energy: -13.445 Base-Backbone interact. energy: -0.003 local terms energy: -21.831073 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.537 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: 4, replica: 8 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -35.101550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.101550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.101550 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.017 local terms energy: -27.881469 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -5.733 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: 7 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -33.016226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.016226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.016226 (E_RNA) where: Base-Base interactions energy: -10.224 where: short stacking energy: -10.224 Base-Backbone interact. energy: -0.022 local terms energy: -22.770326 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -30.737328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.737328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.737328 (E_RNA) where: Base-Base interactions energy: -3.202 where: short stacking energy: -3.202 Base-Backbone interact. energy: -0.006 local terms energy: -27.529909 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -2.937 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: 5 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -30.369982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.369982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.369982 (E_RNA) where: Base-Base interactions energy: -9.063 where: short stacking energy: -9.063 Base-Backbone interact. energy: -0.209 local terms energy: -21.098042 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: 1.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -31.954424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.954424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.954424 (E_RNA) where: Base-Base interactions energy: -6.399 where: short stacking energy: -6.399 Base-Backbone interact. energy: -0.001 local terms energy: -25.555031 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -3.968 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: 9, replica: 4 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -33.774279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.774279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.774279 (E_RNA) where: Base-Base interactions energy: -7.949 where: short stacking energy: -7.949 Base-Backbone interact. energy: -0.000 local terms energy: -25.825330 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -4.374 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: 10, replica: 1 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -27.483323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.483323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.483323 (E_RNA) where: Base-Base interactions energy: -4.155 where: short stacking energy: -3.242 Base-Backbone interact. energy: -0.405 local terms energy: -22.923106 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.909 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) out arg RESULTS//1/7q4l_rna-29aaec54_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -47.149857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.149857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.149857 (E_RNA) where: Base-Base interactions energy: -18.661 where: short stacking energy: -15.671 Base-Backbone interact. energy: -0.083 local terms energy: -28.405962 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -5.010 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: 2, replica: 9 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -35.632986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.632986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.632986 (E_RNA) where: Base-Base interactions energy: -11.049 where: short stacking energy: -10.579 Base-Backbone interact. energy: -0.114 local terms energy: -24.470543 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -4.241 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: 3, replica: 10 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -32.211551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.211551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.211551 (E_RNA) where: Base-Base interactions energy: -6.874 where: short stacking energy: -6.874 Base-Backbone interact. energy: -0.112 local terms energy: -25.225834 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -34.224344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.224344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.224344 (E_RNA) where: Base-Base interactions energy: -10.682 where: short stacking energy: -10.682 Base-Backbone interact. energy: -0.004 local terms energy: -23.538954 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -3.303 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: 5, replica: 8 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -32.769578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.769578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.769578 (E_RNA) where: Base-Base interactions energy: -7.937 where: short stacking energy: -7.937 Base-Backbone interact. energy: -0.111 local terms energy: -24.721788 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -5.313 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: 6, replica: 5 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -36.444478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.444478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.444478 (E_RNA) where: Base-Base interactions energy: -11.616 where: short stacking energy: -12.516 Base-Backbone interact. energy: -0.004 local terms energy: -24.824503 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -3.006 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -5.238 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: 7, replica: 6 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -33.804447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.804447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.804447 (E_RNA) where: Base-Base interactions energy: -9.457 where: short stacking energy: -9.457 Base-Backbone interact. energy: -0.120 local terms energy: -24.227634 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -4.735 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: 8, replica: 4 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -31.823074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.823074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.823074 (E_RNA) where: Base-Base interactions energy: -10.750 where: short stacking energy: -10.750 Base-Backbone interact. energy: -0.015 local terms energy: -21.057191 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -26.953358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.953358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.953358 (E_RNA) where: Base-Base interactions energy: -6.760 where: short stacking energy: -6.760 Base-Backbone interact. energy: -0.127 local terms energy: -20.066316 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -4.586 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: 1 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -31.814179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.814179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.814179 (E_RNA) where: Base-Base interactions energy: -6.859 where: short stacking energy: -6.859 Base-Backbone interact. energy: -0.000 local terms energy: -24.955274 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 2 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 10615535 moves confirmed later: 13990652 all moves confirmed: 24606187 percent of confirmed moves: 3.075773 current total energy: -21.613896 recalc. total energy: -21.613896 replica 9 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 10687817 moves confirmed later: 14119903 all moves confirmed: 24807720 percent of confirmed moves: 3.100965 current total energy: -13.392471 recalc. total energy: -13.392471 replica 7 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 10655540 moves confirmed later: 14061565 all moves confirmed: 24717105 percent of confirmed moves: 3.089638 current total energy: -18.750568 recalc. total energy: -18.750568 replica 10 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 10692623 moves confirmed later: 14107876 all moves confirmed: 24800499 percent of confirmed moves: 3.100062 current total energy: -20.505343 recalc. total energy: -20.505343 replica 5 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 10619937 moves confirmed later: 14005445 all moves confirmed: 24625382 percent of confirmed moves: 3.078173 current total energy: -11.949400 recalc. total energy: -11.949400 replica 8 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 10634761 moves confirmed later: 14023348 all moves confirmed: 24658109 percent of confirmed moves: 3.082264 current total energy: -7.894137 recalc. total energy: -7.894137 replica 6 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 10722463 moves confirmed later: 14158458 all moves confirmed: 24880921 percent of confirmed moves: 3.110115 current total energy: -21.639469 recalc. total energy: -21.639469 replica 4 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 10682463 moves confirmed later: 14106524 all moves confirmed: 24788987 percent of confirmed moves: 3.098623 current total energy: -7.854178 recalc. total energy: -7.854178 replica 1 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 10758614 moves confirmed later: 14222554 all moves confirmed: 24981168 percent of confirmed moves: 3.122646 current total energy: -11.428718 recalc. total energy: -11.428718 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 10625073 moves confirmed later: 14012583 all moves confirmed: 24637656 percent of confirmed moves: 3.079707 current total energy: -10.063315 recalc. total energy: -10.063315 Time of doing 8000000 iterations: 336.378 seconds