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/1fxl_rna-c67f7a2b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1fxl_rna-c67f7a2b/inputs/seq.fa: 1 curr_seq: _UUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUAUUUU 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 9 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: 50 n_atoms_counter: 50 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 9.000000 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/1fxl_rna-c67f7a2b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1fxl_rna-c67f7a2b/inputs/seq.fa: 1 curr_seq: _UUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUAUUUU 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 9 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: 50 n_atoms_counter: 50 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 9.000000 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/1fxl_rna-c67f7a2b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1fxl_rna-c67f7a2b/inputs/seq.fa: 1 curr_seq: _UUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUAUUUU 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 9 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: 50 n_atoms_counter: 50 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 9.000000 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/1fxl_rna-c67f7a2b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1fxl_rna-c67f7a2b/inputs/seq.fa: 1 curr_seq: _UUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUAUUUU 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 9 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: 50 n_atoms_counter: 50 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 9.000000 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/1fxl_rna-c67f7a2b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1fxl_rna-c67f7a2b/inputs/seq.fa: 1 curr_seq: _UUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUAUUUU 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 9 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: 50 n_atoms_counter: 50 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 9.000000 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/1fxl_rna-c67f7a2b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1fxl_rna-c67f7a2b/inputs/seq.fa: 1 curr_seq: _UUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUAUUUU 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 9 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: 50 n_atoms_counter: 50 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 9.000000 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/1fxl_rna-c67f7a2b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1fxl_rna-c67f7a2b/inputs/seq.fa: 1 curr_seq: _UUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUAUUUU 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 9 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: 50 n_atoms_counter: 50 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 9.000000 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/1fxl_rna-c67f7a2b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1fxl_rna-c67f7a2b/inputs/seq.fa: 1 curr_seq: _UUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUAUUUU 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 9 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: 50 n_atoms_counter: 50 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 9.000000 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/1fxl_rna-c67f7a2b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1fxl_rna-c67f7a2b/inputs/seq.fa: 1 curr_seq: _UUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUAUUUU 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 9 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: 50 n_atoms_counter: 50 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 9.000000 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/1fxl_rna-c67f7a2b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1fxl_rna-c67f7a2b/inputs/seq.fa: 1 curr_seq: _UUUUAUUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUUAUUUU 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 9 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: 50 n_atoms_counter: 50 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 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 detecting repulsive nucl: 8, chain 0 chain: 1: _xxxxxxxxx_ 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 setting nucl: 8, chain: 0, index: 8 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 9.000000 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: -31.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518882 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.518806 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -7.559 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -31.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518882 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.518806 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -7.559 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -31.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518882 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.518806 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -7.559 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -31.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518882 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.518806 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -7.559 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -31.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518882 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.518806 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -7.559 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -31.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518882 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.518806 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -7.559 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -31.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518882 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.518806 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -7.559 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -31.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518882 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.518806 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -7.559 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -31.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518882 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.518806 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -7.559 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: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -31.518882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518882 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.518806 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -7.559 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -47.301186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.301186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.301186 (E_RNA) where: Base-Base interactions energy: -19.583 where: short stacking energy: -14.837 Base-Backbone interact. energy: -0.360 local terms energy: -27.358185 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -4.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -39.545503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.545503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.545503 (E_RNA) where: Base-Base interactions energy: -10.149 where: short stacking energy: -10.149 Base-Backbone interact. energy: 0.266 local terms energy: -29.662241 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -39.953152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.953152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.953152 (E_RNA) where: Base-Base interactions energy: -10.241 where: short stacking energy: -10.241 Base-Backbone interact. energy: -0.009 local terms energy: -29.703265 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -5.554 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -43.175054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.175054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.175054 (E_RNA) where: Base-Base interactions energy: -15.796 where: short stacking energy: -15.796 Base-Backbone interact. energy: -0.000 local terms energy: -27.379045 where: bonds (distance) C4'-P energy: -4.642 bonds (distance) P-C4' energy: -6.997 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -5.506 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: 2 Temperature: 1.100000 Total energy: -41.295599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.295599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.295599 (E_RNA) where: Base-Base interactions energy: -11.432 where: short stacking energy: -11.432 Base-Backbone interact. energy: -0.000 local terms energy: -29.863519 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -4.475 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: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -34.723177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.723177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.723177 (E_RNA) where: Base-Base interactions energy: -9.417 where: short stacking energy: -9.417 Base-Backbone interact. energy: -0.020 local terms energy: -25.286192 where: bonds (distance) C4'-P energy: -5.541 bonds (distance) P-C4' energy: -6.837 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -4.041 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -34.230424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.230424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.230424 (E_RNA) where: Base-Base interactions energy: -10.316 where: short stacking energy: -9.560 Base-Backbone interact. energy: -0.095 local terms energy: -23.819326 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -7.755 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -0.364 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: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -33.717420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.717420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.717420 (E_RNA) where: Base-Base interactions energy: -12.407 where: short stacking energy: -12.407 Base-Backbone interact. energy: -0.026 local terms energy: -21.285029 where: bonds (distance) C4'-P energy: -3.970 bonds (distance) P-C4' energy: -4.357 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -32.699745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.699745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.699745 (E_RNA) where: Base-Base interactions energy: -4.389 where: short stacking energy: -3.524 Base-Backbone interact. energy: -0.032 local terms energy: -28.279443 where: bonds (distance) C4'-P energy: -6.037 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -3.331 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -31.363518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.363518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.363518 (E_RNA) where: Base-Base interactions energy: -11.927 where: short stacking energy: -11.127 Base-Backbone interact. energy: -0.853 local terms energy: -18.583977 where: bonds (distance) C4'-P energy: -3.910 bonds (distance) P-C4' energy: -5.841 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: 0.477 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -47.199909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.199909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.199909 (E_RNA) where: Base-Base interactions energy: -14.782 where: short stacking energy: -14.782 Base-Backbone interact. energy: -0.000 local terms energy: -32.417660 where: bonds (distance) C4'-P energy: -5.195 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -37.475814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.475814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.475814 (E_RNA) where: Base-Base interactions energy: -9.094 where: short stacking energy: -9.094 Base-Backbone interact. energy: -0.830 local terms energy: -27.551725 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -4.063 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -45.547928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.547928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.547928 (E_RNA) where: Base-Base interactions energy: -13.878 where: short stacking energy: -13.878 Base-Backbone interact. energy: 0.103 local terms energy: -31.773861 where: bonds (distance) C4'-P energy: -6.223 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -6.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -42.381653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.381653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.381653 (E_RNA) where: Base-Base interactions energy: -14.188 where: short stacking energy: -14.188 Base-Backbone interact. energy: 0.899 local terms energy: -29.091803 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -5.951 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -36.142332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.142332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.142332 (E_RNA) where: Base-Base interactions energy: -11.732 where: short stacking energy: -11.732 Base-Backbone interact. energy: -0.000 local terms energy: -24.410167 where: bonds (distance) C4'-P energy: -6.679 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -1.122 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -37.818887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.818887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.818887 (E_RNA) where: Base-Base interactions energy: -11.386 where: short stacking energy: -11.386 Base-Backbone interact. energy: -0.404 local terms energy: -26.028308 where: bonds (distance) C4'-P energy: -5.913 bonds (distance) P-C4' energy: -6.607 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -37.462608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.462608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.462608 (E_RNA) where: Base-Base interactions energy: -9.784 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.000 local terms energy: -27.677708 where: bonds (distance) C4'-P energy: -4.034 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -38.201031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.201031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.201031 (E_RNA) where: Base-Base interactions energy: -9.954 where: short stacking energy: -9.954 Base-Backbone interact. energy: -0.061 local terms energy: -28.186653 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.907 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -3.935 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -29.992876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.992876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.992876 (E_RNA) where: Base-Base interactions energy: -3.845 where: short stacking energy: -3.845 Base-Backbone interact. energy: -0.807 local terms energy: -25.341135 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -4.486 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -28.778005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.778005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.778005 (E_RNA) where: Base-Base interactions energy: -11.377 where: short stacking energy: -11.377 Base-Backbone interact. energy: -0.006 local terms energy: -17.395309 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -2.466 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -54.561736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.561736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.561736 (E_RNA) where: Base-Base interactions energy: -23.588 where: short stacking energy: -13.556 Base-Backbone interact. energy: -2.114 local terms energy: -28.859880 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -3.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -42.969085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.969085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.969085 (E_RNA) where: Base-Base interactions energy: -12.520 where: short stacking energy: -12.520 Base-Backbone interact. energy: 0.871 local terms energy: -31.320073 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -41.453670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.453670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.453670 (E_RNA) where: Base-Base interactions energy: -12.756 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.041 local terms energy: -28.656405 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -6.805 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: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -45.317504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.317504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.317504 (E_RNA) where: Base-Base interactions energy: -16.493 where: short stacking energy: -16.493 Base-Backbone interact. energy: -0.006 local terms energy: -28.819345 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -4.137 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: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -40.977410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.977410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.977410 (E_RNA) where: Base-Base interactions energy: -10.785 where: short stacking energy: -10.785 Base-Backbone interact. energy: -0.083 local terms energy: -30.109929 where: bonds (distance) C4'-P energy: -4.501 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -5.455 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: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -32.543566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.543566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.543566 (E_RNA) where: Base-Base interactions energy: -2.697 where: short stacking energy: -2.697 Base-Backbone interact. energy: -0.020 local terms energy: -29.827266 where: bonds (distance) C4'-P energy: -7.995 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -36.235580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.235580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.235580 (E_RNA) where: Base-Base interactions energy: -11.027 where: short stacking energy: -11.027 Base-Backbone interact. energy: -0.008 local terms energy: -25.201187 where: bonds (distance) C4'-P energy: -6.679 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -38.455064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.455064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.455064 (E_RNA) where: Base-Base interactions energy: -9.203 where: short stacking energy: -9.203 Base-Backbone interact. energy: -0.073 local terms energy: -29.179730 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -6.732 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: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -31.985909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.985909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.985909 (E_RNA) where: Base-Base interactions energy: -9.577 where: short stacking energy: -9.577 Base-Backbone interact. energy: 1.010 local terms energy: -23.419398 where: bonds (distance) C4'-P energy: -3.831 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -4.807 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: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -29.715264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.715264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.715264 (E_RNA) where: Base-Base interactions energy: -4.858 where: short stacking energy: -4.858 Base-Backbone interact. energy: -0.001 local terms energy: -24.855969 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -1.290 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -46.116275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.116275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.116275 (E_RNA) where: Base-Base interactions energy: -14.580 where: short stacking energy: -14.591 Base-Backbone interact. energy: 0.653 local terms energy: -32.188956 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -2.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -46.147777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.147777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.147777 (E_RNA) where: Base-Base interactions energy: -16.086 where: short stacking energy: -16.086 Base-Backbone interact. energy: -0.000 local terms energy: -30.062190 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -5.109 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: 4 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -42.559613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.559613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.559613 (E_RNA) where: Base-Base interactions energy: -13.729 where: short stacking energy: -13.729 Base-Backbone interact. energy: -0.113 local terms energy: -28.717812 where: bonds (distance) C4'-P energy: -5.370 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -6.118 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: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -39.841038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.841038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.841038 (E_RNA) where: Base-Base interactions energy: -15.168 where: short stacking energy: -15.168 Base-Backbone interact. energy: -0.001 local terms energy: -24.672895 where: bonds (distance) C4'-P energy: -4.149 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -3.467 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: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -37.616378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.616378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.616378 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: -0.010 local terms energy: -29.252885 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -32.543768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.543768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.543768 (E_RNA) where: Base-Base interactions energy: -7.034 where: short stacking energy: -7.034 Base-Backbone interact. energy: -0.072 local terms energy: -25.438180 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: 1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -39.411655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.411655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.411655 (E_RNA) where: Base-Base interactions energy: -13.312 where: short stacking energy: -13.312 Base-Backbone interact. energy: -0.001 local terms energy: -26.098622 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -2.831 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: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -36.700187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.700187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.700187 (E_RNA) where: Base-Base interactions energy: -6.826 where: short stacking energy: -6.826 Base-Backbone interact. energy: -0.000 local terms energy: -29.874433 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -5.782 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: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -33.712379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.712379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.712379 (E_RNA) where: Base-Base interactions energy: -8.792 where: short stacking energy: -8.792 Base-Backbone interact. energy: -0.005 local terms energy: -24.915036 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.351 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -32.818695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.818695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.818695 (E_RNA) where: Base-Base interactions energy: -11.966 where: short stacking energy: -11.966 Base-Backbone interact. energy: -0.002 local terms energy: -20.850406 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -2.698 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -46.946574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.946574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.946574 (E_RNA) where: Base-Base interactions energy: -16.665 where: short stacking energy: -16.665 Base-Backbone interact. energy: -0.004 local terms energy: -30.277635 where: bonds (distance) C4'-P energy: -6.890 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -3.843 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: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -39.479813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.479813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.479813 (E_RNA) where: Base-Base interactions energy: -13.874 where: short stacking energy: -13.874 Base-Backbone interact. energy: -0.138 local terms energy: -25.468565 where: bonds (distance) C4'-P energy: -6.231 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -8.169 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -41.770675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.770675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.770675 (E_RNA) where: Base-Base interactions energy: -10.112 where: short stacking energy: -10.112 Base-Backbone interact. energy: -0.013 local terms energy: -31.646250 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -5.393 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: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -43.863280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.863280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.863280 (E_RNA) where: Base-Base interactions energy: -13.601 where: short stacking energy: -13.601 Base-Backbone interact. energy: -0.000 local terms energy: -30.262455 where: bonds (distance) C4'-P energy: -6.186 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -6.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -35.256428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.256428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.256428 (E_RNA) where: Base-Base interactions energy: -11.760 where: short stacking energy: -11.760 Base-Backbone interact. energy: -0.532 local terms energy: -22.964257 where: bonds (distance) C4'-P energy: -4.762 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -2.285 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: 6, replica: 9 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -36.218800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.218800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.218800 (E_RNA) where: Base-Base interactions energy: -10.401 where: short stacking energy: -10.401 Base-Backbone interact. energy: -0.003 local terms energy: -25.815260 where: bonds (distance) C4'-P energy: -5.817 bonds (distance) P-C4' energy: -4.992 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -5.892 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: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -35.482814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.482814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.482814 (E_RNA) where: Base-Base interactions energy: -8.178 where: short stacking energy: -8.178 Base-Backbone interact. energy: -0.192 local terms energy: -27.112896 where: bonds (distance) C4'-P energy: -7.631 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -5.089 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: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -35.252966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.252966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.252966 (E_RNA) where: Base-Base interactions energy: -11.145 where: short stacking energy: -10.817 Base-Backbone interact. energy: -0.063 local terms energy: -24.044644 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -3.612 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: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -29.255414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.255414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.255414 (E_RNA) where: Base-Base interactions energy: -7.754 where: short stacking energy: -7.754 Base-Backbone interact. energy: -0.002 local terms energy: -21.498873 where: bonds (distance) C4'-P energy: -6.352 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: 1.203 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: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -34.253673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.253673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.253673 (E_RNA) where: Base-Base interactions energy: -5.468 where: short stacking energy: -5.468 Base-Backbone interact. energy: -0.032 local terms energy: -28.753925 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -1.054 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -49.776291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.776291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.776291 (E_RNA) where: Base-Base interactions energy: -17.442 where: short stacking energy: -17.442 Base-Backbone interact. energy: -0.000 local terms energy: -32.334390 where: bonds (distance) C4'-P energy: -6.931 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -6.179 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: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -44.811214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.811214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.811214 (E_RNA) where: Base-Base interactions energy: -12.358 where: short stacking energy: -12.358 Base-Backbone interact. energy: -0.087 local terms energy: -32.366775 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -6.199 tors. eta vs tors. theta energy: -4.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -34.987756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.987756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.987756 (E_RNA) where: Base-Base interactions energy: -8.894 where: short stacking energy: -8.894 Base-Backbone interact. energy: -0.016 local terms energy: -26.077763 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -3.440 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: 4, replica: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -35.607778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.607778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.607778 (E_RNA) where: Base-Base interactions energy: -8.526 where: short stacking energy: -8.526 Base-Backbone interact. energy: -0.186 local terms energy: -26.895948 where: bonds (distance) C4'-P energy: -6.716 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -38.908520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.908520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.908520 (E_RNA) where: Base-Base interactions energy: -14.476 where: short stacking energy: -14.476 Base-Backbone interact. energy: -0.000 local terms energy: -24.432112 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -2.173 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -40.617451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.617451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.617451 (E_RNA) where: Base-Base interactions energy: -16.620 where: short stacking energy: -8.950 Base-Backbone interact. energy: -0.102 local terms energy: -23.895648 where: bonds (distance) C4'-P energy: -4.202 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: 0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -34.798507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.798507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.798507 (E_RNA) where: Base-Base interactions energy: -6.778 where: short stacking energy: -6.735 Base-Backbone interact. energy: -0.038 local terms energy: -27.983238 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -4.846 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: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -31.237369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.237369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.237369 (E_RNA) where: Base-Base interactions energy: -7.105 where: short stacking energy: -7.105 Base-Backbone interact. energy: -0.101 local terms energy: -24.032095 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -6.292 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -1.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -34.447855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.447855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.447855 (E_RNA) where: Base-Base interactions energy: -11.929 where: short stacking energy: -11.358 Base-Backbone interact. energy: -0.017 local terms energy: -22.501239 where: bonds (distance) C4'-P energy: -3.243 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -30.069165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.069165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.069165 (E_RNA) where: Base-Base interactions energy: -2.069 where: short stacking energy: -2.069 Base-Backbone interact. energy: -0.098 local terms energy: -27.901660 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -43.189660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.189660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.189660 (E_RNA) where: Base-Base interactions energy: -13.368 where: short stacking energy: -13.368 Base-Backbone interact. energy: -0.000 local terms energy: -29.821302 where: bonds (distance) C4'-P energy: -5.578 bonds (distance) P-C4' energy: -8.443 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -4.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -46.819087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.819087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.819087 (E_RNA) where: Base-Base interactions energy: -14.112 where: short stacking energy: -14.112 Base-Backbone interact. energy: -0.000 local terms energy: -32.706906 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -6.938 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: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -40.580235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.580235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.580235 (E_RNA) where: Base-Base interactions energy: -10.292 where: short stacking energy: -10.292 Base-Backbone interact. energy: -0.028 local terms energy: -30.259895 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -5.001 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -4.278 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: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -43.898622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.898622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.898622 (E_RNA) where: Base-Base interactions energy: -12.097 where: short stacking energy: -14.408 Base-Backbone interact. energy: -0.877 local terms energy: -30.924754 where: bonds (distance) C4'-P energy: -6.686 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -4.370 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: 5, replica: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -33.298978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.298978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.298978 (E_RNA) where: Base-Base interactions energy: -6.647 where: short stacking energy: -6.647 Base-Backbone interact. energy: -0.090 local terms energy: -26.562470 where: bonds (distance) C4'-P energy: -6.252 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -4.339 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: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -36.035002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.035002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.035002 (E_RNA) where: Base-Base interactions energy: -11.917 where: short stacking energy: -11.917 Base-Backbone interact. energy: -0.097 local terms energy: -24.020510 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -4.013 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -45.412588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.412588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.412588 (E_RNA) where: Base-Base interactions energy: -16.291 where: short stacking energy: -16.291 Base-Backbone interact. energy: 0.675 local terms energy: -29.796829 where: bonds (distance) C4'-P energy: -6.013 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: -5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -35.042116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.042116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.042116 (E_RNA) where: Base-Base interactions energy: -7.844 where: short stacking energy: -7.844 Base-Backbone interact. energy: -0.100 local terms energy: -27.098589 where: bonds (distance) C4'-P energy: -7.254 bonds (distance) P-C4' energy: -5.874 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -4.417 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: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -33.162002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.162002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.162002 (E_RNA) where: Base-Base interactions energy: -6.988 where: short stacking energy: -6.988 Base-Backbone interact. energy: -0.012 local terms energy: -26.161811 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -4.059 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: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -30.644665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.644665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.644665 (E_RNA) where: Base-Base interactions energy: -5.555 where: short stacking energy: -3.595 Base-Backbone interact. energy: -0.256 local terms energy: -24.833862 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -46.489039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.489039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.489039 (E_RNA) where: Base-Base interactions energy: -16.638 where: short stacking energy: -16.638 Base-Backbone interact. energy: -0.001 local terms energy: -29.849792 where: bonds (distance) C4'-P energy: -5.206 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -5.202 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: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -51.858366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.858366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.858366 (E_RNA) where: Base-Base interactions energy: -22.972 where: short stacking energy: -22.972 Base-Backbone interact. energy: -0.000 local terms energy: -28.885743 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -2.274 tors. eta vs tors. theta energy: -5.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -39.885704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.885704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.885704 (E_RNA) where: Base-Base interactions energy: -11.358 where: short stacking energy: -11.358 Base-Backbone interact. energy: -0.007 local terms energy: -28.521168 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -1.519 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -35.483238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.483238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.483238 (E_RNA) where: Base-Base interactions energy: -9.549 where: short stacking energy: -9.549 Base-Backbone interact. energy: -0.463 local terms energy: -25.471944 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -2.277 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: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -35.666984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.666984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.666984 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.266 Base-Backbone interact. energy: -0.000 local terms energy: -25.255460 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -2.836 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: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -37.207666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.207666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.207666 (E_RNA) where: Base-Base interactions energy: -9.938 where: short stacking energy: -9.938 Base-Backbone interact. energy: -0.003 local terms energy: -27.266562 where: bonds (distance) C4'-P energy: -5.747 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -3.047 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: 7, replica: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -36.784236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.784236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.784236 (E_RNA) where: Base-Base interactions energy: -11.016 where: short stacking energy: -11.016 Base-Backbone interact. energy: -0.001 local terms energy: -25.766629 where: bonds (distance) C4'-P energy: -3.591 bonds (distance) P-C4' energy: -7.206 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -4.986 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: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -33.162872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.162872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.162872 (E_RNA) where: Base-Base interactions energy: -11.856 where: short stacking energy: -9.428 Base-Backbone interact. energy: -0.018 local terms energy: -21.289417 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -1.003 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: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -37.050017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.050017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.050017 (E_RNA) where: Base-Base interactions energy: -7.624 where: short stacking energy: -7.624 Base-Backbone interact. energy: -0.072 local terms energy: -29.353764 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -36.826319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.826319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.826319 (E_RNA) where: Base-Base interactions energy: -7.633 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.004 local terms energy: -29.189420 where: bonds (distance) C4'-P energy: -6.931 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -3.833 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: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -43.698317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.698317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.698317 (E_RNA) where: Base-Base interactions energy: -13.196 where: short stacking energy: -13.196 Base-Backbone interact. energy: -0.009 local terms energy: -30.492862 where: bonds (distance) C4'-P energy: -5.400 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -41.842529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.842529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.842529 (E_RNA) where: Base-Base interactions energy: -13.842 where: short stacking energy: -11.748 Base-Backbone interact. energy: -0.101 local terms energy: -27.899619 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -4.002 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: 3, replica: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -47.788021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.788021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.788021 (E_RNA) where: Base-Base interactions energy: -18.129 where: short stacking energy: -18.129 Base-Backbone interact. energy: -0.058 local terms energy: -29.600938 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -38.669434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.669434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.669434 (E_RNA) where: Base-Base interactions energy: -12.718 where: short stacking energy: -12.718 Base-Backbone interact. energy: -0.002 local terms energy: -25.949503 where: bonds (distance) C4'-P energy: -4.638 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -4.116 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: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -36.586609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.586609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.586609 (E_RNA) where: Base-Base interactions energy: -9.649 where: short stacking energy: -9.649 Base-Backbone interact. energy: -0.004 local terms energy: -26.934088 where: bonds (distance) C4'-P energy: -6.281 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -37.700650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.700650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.700650 (E_RNA) where: Base-Base interactions energy: -8.189 where: short stacking energy: -8.189 Base-Backbone interact. energy: -0.001 local terms energy: -29.511078 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -5.244 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: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -32.925422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.925422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.925422 (E_RNA) where: Base-Base interactions energy: -4.303 where: short stacking energy: -4.303 Base-Backbone interact. energy: -0.056 local terms energy: -28.565773 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -0.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -36.038669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.038669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.038669 (E_RNA) where: Base-Base interactions energy: -8.435 where: short stacking energy: -7.054 Base-Backbone interact. energy: -0.063 local terms energy: -27.540986 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -3.339 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: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -33.396682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.396682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.396682 (E_RNA) where: Base-Base interactions energy: -9.579 where: short stacking energy: -9.579 Base-Backbone interact. energy: 0.014 local terms energy: -23.831441 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -1.987 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: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -32.943978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.943978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.943978 (E_RNA) where: Base-Base interactions energy: -4.165 where: short stacking energy: -4.165 Base-Backbone interact. energy: -0.402 local terms energy: -28.376390 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -2.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -45.907802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.907802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.907802 (E_RNA) where: Base-Base interactions energy: -16.050 where: short stacking energy: -16.050 Base-Backbone interact. energy: -0.000 local terms energy: -29.857458 where: bonds (distance) C4'-P energy: -4.692 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -5.795 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: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -48.854414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.854414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.854414 (E_RNA) where: Base-Base interactions energy: -15.224 where: short stacking energy: -15.224 Base-Backbone interact. energy: -0.004 local terms energy: -33.626368 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -6.130 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: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -42.156801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.156801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.156801 (E_RNA) where: Base-Base interactions energy: -10.395 where: short stacking energy: -10.395 Base-Backbone interact. energy: -0.114 local terms energy: -31.647945 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -5.716 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: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -36.459305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.459305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.459305 (E_RNA) where: Base-Base interactions energy: -9.480 where: short stacking energy: -9.480 Base-Backbone interact. energy: -0.086 local terms energy: -26.893557 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -34.376608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.376608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.376608 (E_RNA) where: Base-Base interactions energy: -8.444 where: short stacking energy: -8.444 Base-Backbone interact. energy: -0.099 local terms energy: -25.834426 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -6.272 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: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -31.364420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364420 (E_RNA) where: Base-Base interactions energy: -8.209 where: short stacking energy: -7.784 Base-Backbone interact. energy: -0.129 local terms energy: -23.026270 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -5.244 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: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -35.355629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.355629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.355629 (E_RNA) where: Base-Base interactions energy: -4.616 where: short stacking energy: -4.616 Base-Backbone interact. energy: -0.000 local terms energy: -30.739464 where: bonds (distance) C4'-P energy: -6.637 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -35.529829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.529829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.529829 (E_RNA) where: Base-Base interactions energy: -10.755 where: short stacking energy: -10.755 Base-Backbone interact. energy: -0.154 local terms energy: -24.620875 where: bonds (distance) C4'-P energy: -3.856 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -33.325130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.325130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.325130 (E_RNA) where: Base-Base interactions energy: -7.719 where: short stacking energy: -7.719 Base-Backbone interact. energy: -0.004 local terms energy: -25.602121 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: 0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -32.301264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.301264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.301264 (E_RNA) where: Base-Base interactions energy: -7.009 where: short stacking energy: -7.009 Base-Backbone interact. energy: 0.678 local terms energy: -25.970272 where: bonds (distance) C4'-P energy: -6.252 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -48.686923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.686923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.686923 (E_RNA) where: Base-Base interactions energy: -15.890 where: short stacking energy: -15.890 Base-Backbone interact. energy: -0.005 local terms energy: -32.791135 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -5.547 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: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -40.645144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.645144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.645144 (E_RNA) where: Base-Base interactions energy: -9.207 where: short stacking energy: -9.207 Base-Backbone interact. energy: -0.000 local terms energy: -31.437865 where: bonds (distance) C4'-P energy: -6.012 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -5.912 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: 3, replica: 8 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -36.578057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.578057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.578057 (E_RNA) where: Base-Base interactions energy: -9.192 where: short stacking energy: -9.192 Base-Backbone interact. energy: -0.116 local terms energy: -27.269749 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -35.070864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.070864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.070864 (E_RNA) where: Base-Base interactions energy: -9.343 where: short stacking energy: -5.774 Base-Backbone interact. energy: -0.103 local terms energy: -25.624903 where: bonds (distance) C4'-P energy: -6.484 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -34.401319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.401319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.401319 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.052 local terms energy: -27.568111 where: bonds (distance) C4'-P energy: -6.306 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -37.399211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.399211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.399211 (E_RNA) where: Base-Base interactions energy: -10.564 where: short stacking energy: -10.564 Base-Backbone interact. energy: -0.000 local terms energy: -26.835264 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -2.077 tors. eta vs tors. theta energy: -4.537 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: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -37.946132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.946132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.946132 (E_RNA) where: Base-Base interactions energy: -12.673 where: short stacking energy: -12.673 Base-Backbone interact. energy: -0.039 local terms energy: -25.233484 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -0.807 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: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -32.585389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.585389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.585389 (E_RNA) where: Base-Base interactions energy: -8.104 where: short stacking energy: -4.794 Base-Backbone interact. energy: -0.055 local terms energy: -24.426166 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -5.822 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -28.181074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.181074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.181074 (E_RNA) where: Base-Base interactions energy: -3.941 where: short stacking energy: -3.941 Base-Backbone interact. energy: -0.105 local terms energy: -24.134703 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.544 flat angles P-C4'-P energy: -6.662 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: 10, replica: 4 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -30.991379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.991379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.991379 (E_RNA) where: Base-Base interactions energy: -12.714 where: short stacking energy: -12.714 Base-Backbone interact. energy: -0.011 local terms energy: -18.266485 where: bonds (distance) C4'-P energy: -4.469 bonds (distance) P-C4' energy: -7.911 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -1.078 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: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -48.516972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.516972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.516972 (E_RNA) where: Base-Base interactions energy: -16.215 where: short stacking energy: -16.215 Base-Backbone interact. energy: -0.008 local terms energy: -32.293956 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -2.632 tors. eta vs tors. theta energy: -5.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -49.727726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.727726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.727726 (E_RNA) where: Base-Base interactions energy: -15.949 where: short stacking energy: -14.185 Base-Backbone interact. energy: -0.001 local terms energy: -33.778066 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -8.576 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: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -42.557009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.557009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.557009 (E_RNA) where: Base-Base interactions energy: -12.726 where: short stacking energy: -12.726 Base-Backbone interact. energy: -0.143 local terms energy: -29.688194 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -39.964335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.964335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.964335 (E_RNA) where: Base-Base interactions energy: -10.193 where: short stacking energy: -10.193 Base-Backbone interact. energy: -0.010 local terms energy: -29.761980 where: bonds (distance) C4'-P energy: -4.497 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -37.655589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.655589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.655589 (E_RNA) where: Base-Base interactions energy: -11.177 where: short stacking energy: -11.177 Base-Backbone interact. energy: -0.120 local terms energy: -26.358476 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: 0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -38.635093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.635093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.635093 (E_RNA) where: Base-Base interactions energy: -11.553 where: short stacking energy: -10.560 Base-Backbone interact. energy: -0.639 local terms energy: -26.443083 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.860 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: 7, replica: 3 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -31.014868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.014868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.014868 (E_RNA) where: Base-Base interactions energy: -8.957 where: short stacking energy: -8.957 Base-Backbone interact. energy: -0.073 local terms energy: -21.984732 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -2.793 flat angles P-C4'-P energy: -4.185 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: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -29.705173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.705173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.705173 (E_RNA) where: Base-Base interactions energy: -2.251 where: short stacking energy: -1.939 Base-Backbone interact. energy: -0.165 local terms energy: -27.288980 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -4.910 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: 5 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -30.846591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.846591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.846591 (E_RNA) where: Base-Base interactions energy: -7.487 where: short stacking energy: -7.487 Base-Backbone interact. energy: -0.073 local terms energy: -23.285703 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -6.403 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: 0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -31.262031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.262031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.262031 (E_RNA) where: Base-Base interactions energy: -4.285 where: short stacking energy: -3.783 Base-Backbone interact. energy: 0.397 local terms energy: -27.374510 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.209 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -4.848 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: 8 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -50.102511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.102511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.102511 (E_RNA) where: Base-Base interactions energy: -22.066 where: short stacking energy: -22.066 Base-Backbone interact. energy: -0.019 local terms energy: -28.017223 where: bonds (distance) C4'-P energy: -5.497 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -48.031077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.031077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.031077 (E_RNA) where: Base-Base interactions energy: -16.647 where: short stacking energy: -16.647 Base-Backbone interact. energy: -0.000 local terms energy: -31.384249 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -6.702 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: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -40.548781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.548781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.548781 (E_RNA) where: Base-Base interactions energy: -10.843 where: short stacking energy: -10.843 Base-Backbone interact. energy: -0.023 local terms energy: -29.683578 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -6.652 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: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -37.786895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.786895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.786895 (E_RNA) where: Base-Base interactions energy: -11.120 where: short stacking energy: -11.120 Base-Backbone interact. energy: -0.048 local terms energy: -26.619142 where: bonds (distance) C4'-P energy: -6.471 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -3.710 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: 5, replica: 10 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -38.917236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.917236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.917236 (E_RNA) where: Base-Base interactions energy: -10.872 where: short stacking energy: -10.872 Base-Backbone interact. energy: -0.100 local terms energy: -27.945022 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -32.693809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.693809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.693809 (E_RNA) where: Base-Base interactions energy: -7.229 where: short stacking energy: -7.257 Base-Backbone interact. energy: -0.043 local terms energy: -25.420980 where: bonds (distance) C4'-P energy: -5.151 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: 1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -34.279569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.279569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.279569 (E_RNA) where: Base-Base interactions energy: -5.521 where: short stacking energy: -5.521 Base-Backbone interact. energy: 0.244 local terms energy: -29.003421 where: bonds (distance) C4'-P energy: -5.702 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -5.975 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: 8, replica: 3 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -34.217224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.217224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.217224 (E_RNA) where: Base-Base interactions energy: -11.026 where: short stacking energy: -8.447 Base-Backbone interact. energy: -0.205 local terms energy: -22.986466 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: 0.500 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: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -33.316798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.316798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.316798 (E_RNA) where: Base-Base interactions energy: -4.162 where: short stacking energy: -4.107 Base-Backbone interact. energy: -0.254 local terms energy: -28.900600 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -35.743907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.743907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.743907 (E_RNA) where: Base-Base interactions energy: -12.716 where: short stacking energy: -11.151 Base-Backbone interact. energy: -0.068 local terms energy: -22.959791 where: bonds (distance) C4'-P energy: -4.621 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: 0.287 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: 1, replica: 8 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -46.863085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.863085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.863085 (E_RNA) where: Base-Base interactions energy: -14.358 where: short stacking energy: -10.466 Base-Backbone interact. energy: -0.118 local terms energy: -32.386862 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -42.383837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.383837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.383837 (E_RNA) where: Base-Base interactions energy: -11.985 where: short stacking energy: -11.301 Base-Backbone interact. energy: -0.044 local terms energy: -30.354052 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -4.911 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: 3, replica: 6 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -45.236257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.236257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.236257 (E_RNA) where: Base-Base interactions energy: -13.377 where: short stacking energy: -13.377 Base-Backbone interact. energy: -0.003 local terms energy: -31.856413 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -5.536 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: 4, replica: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -39.447508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.447508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.447508 (E_RNA) where: Base-Base interactions energy: -12.287 where: short stacking energy: -12.187 Base-Backbone interact. energy: -0.106 local terms energy: -27.054631 where: bonds (distance) C4'-P energy: -4.663 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -40.239051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.239051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.239051 (E_RNA) where: Base-Base interactions energy: -10.904 where: short stacking energy: -11.038 Base-Backbone interact. energy: -0.154 local terms energy: -29.181548 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -35.598272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598272 (E_RNA) where: Base-Base interactions energy: -10.637 where: short stacking energy: -10.637 Base-Backbone interact. energy: -0.034 local terms energy: -24.927277 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -2.401 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: 7, replica: 2 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -30.999473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.999473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.999473 (E_RNA) where: Base-Base interactions energy: -2.606 where: short stacking energy: -2.606 Base-Backbone interact. energy: -0.172 local terms energy: -28.221572 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -4.612 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: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -34.210006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.210006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.210006 (E_RNA) where: Base-Base interactions energy: -7.702 where: short stacking energy: -7.702 Base-Backbone interact. energy: -0.084 local terms energy: -26.424526 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -3.180 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: 3 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -32.764395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.764395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.764395 (E_RNA) where: Base-Base interactions energy: -8.476 where: short stacking energy: -6.799 Base-Backbone interact. energy: -0.105 local terms energy: -24.183188 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -5.482 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -5.105 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: 10, replica: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -34.271927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.271927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.271927 (E_RNA) where: Base-Base interactions energy: -10.168 where: short stacking energy: -10.168 Base-Backbone interact. energy: -0.108 local terms energy: -23.995175 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -2.134 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: 1, replica: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -51.431094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.431094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.431094 (E_RNA) where: Base-Base interactions energy: -16.007 where: short stacking energy: -13.083 Base-Backbone interact. energy: -0.000 local terms energy: -35.423636 where: bonds (distance) C4'-P energy: -7.147 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -49.095507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.095507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.095507 (E_RNA) where: Base-Base interactions energy: -17.217 where: short stacking energy: -17.217 Base-Backbone interact. energy: -0.002 local terms energy: -31.876175 where: bonds (distance) C4'-P energy: -5.917 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -40.407927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.407927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.407927 (E_RNA) where: Base-Base interactions energy: -13.252 where: short stacking energy: -13.252 Base-Backbone interact. energy: -0.207 local terms energy: -26.949316 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -41.558354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.558354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.558354 (E_RNA) where: Base-Base interactions energy: -12.059 where: short stacking energy: -12.059 Base-Backbone interact. energy: -0.000 local terms energy: -29.499450 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -3.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -37.234369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.234369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.234369 (E_RNA) where: Base-Base interactions energy: -10.047 where: short stacking energy: -9.212 Base-Backbone interact. energy: -0.057 local terms energy: -27.130223 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -5.454 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -35.297196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.297196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.297196 (E_RNA) where: Base-Base interactions energy: -5.042 where: short stacking energy: -4.061 Base-Backbone interact. energy: -0.119 local terms energy: -30.135521 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -38.662514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.662514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.662514 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -12.023 Base-Backbone interact. energy: -0.000 local terms energy: -26.639235 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -32.209441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.209441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.209441 (E_RNA) where: Base-Base interactions energy: -12.162 where: short stacking energy: -12.162 Base-Backbone interact. energy: -0.117 local terms energy: -19.930774 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -4.595 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: 0.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -34.594333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.594333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.594333 (E_RNA) where: Base-Base interactions energy: -5.703 where: short stacking energy: -5.703 Base-Backbone interact. energy: -0.040 local terms energy: -28.850555 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -33.004456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.004456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.004456 (E_RNA) where: Base-Base interactions energy: -7.561 where: short stacking energy: -7.561 Base-Backbone interact. energy: -0.090 local terms energy: -25.353857 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: 0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -49.847023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.847023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.847023 (E_RNA) where: Base-Base interactions energy: -16.508 where: short stacking energy: -16.508 Base-Backbone interact. energy: -0.000 local terms energy: -33.339407 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.445 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -6.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -46.422582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.422582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.422582 (E_RNA) where: Base-Base interactions energy: -15.208 where: short stacking energy: -15.208 Base-Backbone interact. energy: -0.052 local terms energy: -31.162737 where: bonds (distance) C4'-P energy: -7.532 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -39.946441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.946441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.946441 (E_RNA) where: Base-Base interactions energy: -13.863 where: short stacking energy: -13.863 Base-Backbone interact. energy: -0.229 local terms energy: -25.854018 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -5.297 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -5.732 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: 4, replica: 9 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -43.997899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.997899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.997899 (E_RNA) where: Base-Base interactions energy: -11.237 where: short stacking energy: -10.448 Base-Backbone interact. energy: -1.053 local terms energy: -31.707767 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -5.023 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: 6 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -35.978016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.978016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.978016 (E_RNA) where: Base-Base interactions energy: -6.519 where: short stacking energy: -6.519 Base-Backbone interact. energy: -0.082 local terms energy: -29.377025 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -4.002 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: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -35.134131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.134131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.134131 (E_RNA) where: Base-Base interactions energy: -6.910 where: short stacking energy: -6.910 Base-Backbone interact. energy: -0.057 local terms energy: -28.167840 where: bonds (distance) C4'-P energy: -6.083 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -4.289 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: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -35.438487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.438487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.438487 (E_RNA) where: Base-Base interactions energy: -10.972 where: short stacking energy: -10.972 Base-Backbone interact. energy: -0.097 local terms energy: -24.369525 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -7.546 flat angles C4'-P-C4' energy: -2.467 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -5.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -34.024207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.024207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.024207 (E_RNA) where: Base-Base interactions energy: -7.442 where: short stacking energy: -7.437 Base-Backbone interact. energy: -0.029 local terms energy: -26.553228 where: bonds (distance) C4'-P energy: -5.002 bonds (distance) P-C4' energy: -6.409 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -30.807673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.807673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.807673 (E_RNA) where: Base-Base interactions energy: -6.230 where: short stacking energy: -6.230 Base-Backbone interact. energy: -0.059 local terms energy: -24.518817 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -3.764 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: 10, replica: 3 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -28.160923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.160923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.160923 (E_RNA) where: Base-Base interactions energy: -3.121 where: short stacking energy: -3.121 Base-Backbone interact. energy: -0.044 local terms energy: -24.996371 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -5.827 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: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -48.806193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.806193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.806193 (E_RNA) where: Base-Base interactions energy: -16.204 where: short stacking energy: -16.204 Base-Backbone interact. energy: -0.000 local terms energy: -32.602070 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -6.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -43.283047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.283047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.283047 (E_RNA) where: Base-Base interactions energy: -15.339 where: short stacking energy: -15.339 Base-Backbone interact. energy: 0.005 local terms energy: -27.949250 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -3.882 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: 3, replica: 9 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -38.301595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.301595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.301595 (E_RNA) where: Base-Base interactions energy: -9.818 where: short stacking energy: -9.818 Base-Backbone interact. energy: -0.087 local terms energy: -28.396045 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.232 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: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -37.892118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.892118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.892118 (E_RNA) where: Base-Base interactions energy: -8.847 where: short stacking energy: -8.847 Base-Backbone interact. energy: -0.001 local terms energy: -29.044789 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -47.920201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.920201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.920201 (E_RNA) where: Base-Base interactions energy: -16.674 where: short stacking energy: -16.674 Base-Backbone interact. energy: -0.000 local terms energy: -31.246345 where: bonds (distance) C4'-P energy: -5.560 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -33.842111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.842111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.842111 (E_RNA) where: Base-Base interactions energy: -10.920 where: short stacking energy: -10.920 Base-Backbone interact. energy: -0.148 local terms energy: -22.774159 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -36.034042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.034042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.034042 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.000 local terms energy: -28.516710 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -4.194 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: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -33.728902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.728902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.728902 (E_RNA) where: Base-Base interactions energy: -9.580 where: short stacking energy: -9.580 Base-Backbone interact. energy: -0.001 local terms energy: -24.148760 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -2.003 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -28.737349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.737349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.737349 (E_RNA) where: Base-Base interactions energy: -5.194 where: short stacking energy: -5.194 Base-Backbone interact. energy: 0.549 local terms energy: -24.092088 where: bonds (distance) C4'-P energy: -6.923 bonds (distance) P-C4' energy: -7.301 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: 2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -30.970819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.970819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.970819 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.000 local terms energy: -23.546244 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -5.490 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: 19 Temperature: 0.900000 Total energy: -42.885635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.885635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.885635 (E_RNA) where: Base-Base interactions energy: -13.011 where: short stacking energy: -13.011 Base-Backbone interact. energy: -0.001 local terms energy: -29.873949 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -5.325 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: 2, replica: 9 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -36.787521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.787521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.787521 (E_RNA) where: Base-Base interactions energy: -10.582 where: short stacking energy: -10.582 Base-Backbone interact. energy: -0.112 local terms energy: -26.093298 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -5.544 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: 3, replica: 7 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -44.872540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.872540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.872540 (E_RNA) where: Base-Base interactions energy: -12.204 where: short stacking energy: -12.204 Base-Backbone interact. energy: -0.149 local terms energy: -32.519116 where: bonds (distance) C4'-P energy: -6.510 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -5.742 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: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -38.410545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.410545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.410545 (E_RNA) where: Base-Base interactions energy: -13.229 where: short stacking energy: -13.229 Base-Backbone interact. energy: -0.036 local terms energy: -25.145964 where: bonds (distance) C4'-P energy: -5.081 bonds (distance) P-C4' energy: -6.230 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -5.312 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: 5, replica: 6 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -42.319850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.319850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.319850 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -28.081857 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -5.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -34.348932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.348932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.348932 (E_RNA) where: Base-Base interactions energy: -7.464 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.189 local terms energy: -26.695773 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -0.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -37.467389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.467389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.467389 (E_RNA) where: Base-Base interactions energy: -9.314 where: short stacking energy: -8.067 Base-Backbone interact. energy: -0.214 local terms energy: -27.938768 where: bonds (distance) C4'-P energy: -7.034 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -3.243 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: 8, replica: 3 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -29.574947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.574947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.574947 (E_RNA) where: Base-Base interactions energy: -1.960 where: short stacking energy: -0.178 Base-Backbone interact. energy: 0.242 local terms energy: -27.857252 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -8.141 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.947 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: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -30.201725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.201725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.201725 (E_RNA) where: Base-Base interactions energy: -3.805 where: short stacking energy: -3.805 Base-Backbone interact. energy: -0.095 local terms energy: -26.301410 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -5.942 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: 10, replica: 2 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -31.420811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.420811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.420811 (E_RNA) where: Base-Base interactions energy: -10.007 where: short stacking energy: -10.007 Base-Backbone interact. energy: -0.187 local terms energy: -21.227238 where: bonds (distance) C4'-P energy: -3.848 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -3.648 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: 9 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -37.176003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.176003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.176003 (E_RNA) where: Base-Base interactions energy: -11.938 where: short stacking energy: -11.938 Base-Backbone interact. energy: -0.004 local terms energy: -25.234795 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -2.633 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: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -46.274567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.274567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.274567 (E_RNA) where: Base-Base interactions energy: -14.223 where: short stacking energy: -14.223 Base-Backbone interact. energy: -0.000 local terms energy: -32.051353 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -5.327 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: 3, replica: 8 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -45.493655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.493655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.493655 (E_RNA) where: Base-Base interactions energy: -16.861 where: short stacking energy: -16.861 Base-Backbone interact. energy: -0.001 local terms energy: -28.632454 where: bonds (distance) C4'-P energy: -8.189 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -4.651 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: 4, replica: 7 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -36.126681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.126681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.126681 (E_RNA) where: Base-Base interactions energy: -12.095 where: short stacking energy: -12.095 Base-Backbone interact. energy: -0.050 local terms energy: -23.981844 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -3.442 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: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -35.638039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.638039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.638039 (E_RNA) where: Base-Base interactions energy: -10.833 where: short stacking energy: -10.833 Base-Backbone interact. energy: -0.044 local terms energy: -24.761585 where: bonds (distance) C4'-P energy: -4.050 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -0.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -36.644931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.644931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.644931 (E_RNA) where: Base-Base interactions energy: -7.912 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.406 local terms energy: -28.326761 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -32.527406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.527406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.527406 (E_RNA) where: Base-Base interactions energy: -8.367 where: short stacking energy: -8.367 Base-Backbone interact. energy: -0.087 local terms energy: -24.073943 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -35.463241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.463241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.463241 (E_RNA) where: Base-Base interactions energy: -11.324 where: short stacking energy: -11.324 Base-Backbone interact. energy: -0.003 local terms energy: -24.135923 where: bonds (distance) C4'-P energy: -5.383 bonds (distance) P-C4' energy: -6.666 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -37.500123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.500123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.500123 (E_RNA) where: Base-Base interactions energy: -14.475 where: short stacking energy: -14.475 Base-Backbone interact. energy: -0.146 local terms energy: -22.879194 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -2.284 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -4.748 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: 10, replica: 2 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -32.458644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.458644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.458644 (E_RNA) where: Base-Base interactions energy: -8.774 where: short stacking energy: -7.198 Base-Backbone interact. energy: -0.158 local terms energy: -23.526668 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -4.407 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: 1, replica: 9 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -41.843323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.843323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.843323 (E_RNA) where: Base-Base interactions energy: -13.969 where: short stacking energy: -13.969 Base-Backbone interact. energy: -0.004 local terms energy: -27.870894 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -5.850 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -4.144 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: 2, replica: 8 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -43.117627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.117627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.117627 (E_RNA) where: Base-Base interactions energy: -11.792 where: short stacking energy: -11.931 Base-Backbone interact. energy: -0.006 local terms energy: -31.319808 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -6.303 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -46.373789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.373789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.373789 (E_RNA) where: Base-Base interactions energy: -14.723 where: short stacking energy: -14.723 Base-Backbone interact. energy: -0.045 local terms energy: -31.605457 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -6.252 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: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -41.451560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.451560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.451560 (E_RNA) where: Base-Base interactions energy: -12.056 where: short stacking energy: -12.056 Base-Backbone interact. energy: -0.133 local terms energy: -29.263256 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -0.811 tors. eta vs tors. theta energy: -5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -36.812759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.812759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.812759 (E_RNA) where: Base-Base interactions energy: -10.277 where: short stacking energy: -10.277 Base-Backbone interact. energy: -0.010 local terms energy: -26.526015 where: bonds (distance) C4'-P energy: -6.236 bonds (distance) P-C4' energy: -6.280 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -2.548 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: 6, replica: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -36.150587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.150587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.150587 (E_RNA) where: Base-Base interactions energy: -7.551 where: short stacking energy: -7.551 Base-Backbone interact. energy: -0.100 local terms energy: -28.499204 where: bonds (distance) C4'-P energy: -5.664 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -6.129 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: 7, replica: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -33.032992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.032992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.032992 (E_RNA) where: Base-Base interactions energy: -6.201 where: short stacking energy: -6.201 Base-Backbone interact. energy: -0.035 local terms energy: -26.796522 where: bonds (distance) C4'-P energy: -6.698 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -32.037973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.037973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.037973 (E_RNA) where: Base-Base interactions energy: -7.505 where: short stacking energy: -7.505 Base-Backbone interact. energy: -0.082 local terms energy: -24.451493 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -5.989 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: 9, replica: 5 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -30.729816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.729816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.729816 (E_RNA) where: Base-Base interactions energy: -6.982 where: short stacking energy: -6.982 Base-Backbone interact. energy: -0.008 local terms energy: -23.739772 where: bonds (distance) C4'-P energy: -6.314 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -0.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -32.373224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.373224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.373224 (E_RNA) where: Base-Base interactions energy: -6.593 where: short stacking energy: -6.593 Base-Backbone interact. energy: -0.058 local terms energy: -25.721631 where: bonds (distance) C4'-P energy: -3.893 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -3.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -44.743340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.743340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.743340 (E_RNA) where: Base-Base interactions energy: -16.005 where: short stacking energy: -16.005 Base-Backbone interact. energy: -0.000 local terms energy: -28.737735 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -5.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -44.777268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.777268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.777268 (E_RNA) where: Base-Base interactions energy: -14.692 where: short stacking energy: -14.692 Base-Backbone interact. energy: -0.002 local terms energy: -30.083686 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -6.434 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: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -36.279441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.279441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.279441 (E_RNA) where: Base-Base interactions energy: -3.458 where: short stacking energy: -3.458 Base-Backbone interact. energy: -0.000 local terms energy: -32.821294 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -5.685 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: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -38.096478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.096478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.096478 (E_RNA) where: Base-Base interactions energy: -13.634 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.010 local terms energy: -24.451783 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -0.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -39.696091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.696091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.696091 (E_RNA) where: Base-Base interactions energy: -6.949 where: short stacking energy: -6.949 Base-Backbone interact. energy: -0.025 local terms energy: -32.722825 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -5.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -34.453387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.453387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.453387 (E_RNA) where: Base-Base interactions energy: -8.990 where: short stacking energy: -5.381 Base-Backbone interact. energy: -0.001 local terms energy: -25.462947 where: bonds (distance) C4'-P energy: -3.101 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -2.799 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: 7, replica: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -35.323156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.323156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.323156 (E_RNA) where: Base-Base interactions energy: -8.215 where: short stacking energy: -7.324 Base-Backbone interact. energy: -0.037 local terms energy: -27.071073 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -34.631790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.631790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.631790 (E_RNA) where: Base-Base interactions energy: -12.403 where: short stacking energy: -12.403 Base-Backbone interact. energy: 0.165 local terms energy: -22.393317 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: 0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -32.031304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.031304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.031304 (E_RNA) where: Base-Base interactions energy: -11.006 where: short stacking energy: -11.006 Base-Backbone interact. energy: -0.116 local terms energy: -20.908667 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -5.392 flat angles C4'-P-C4' energy: -3.399 flat angles P-C4'-P energy: -4.272 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: 10, replica: 5 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -29.635839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.635839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.635839 (E_RNA) where: Base-Base interactions energy: -7.052 where: short stacking energy: -7.052 Base-Backbone interact. energy: -0.084 local terms energy: -22.499355 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -6.340 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -4.987 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: 1, replica: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -47.669471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.669471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.669471 (E_RNA) where: Base-Base interactions energy: -16.296 where: short stacking energy: -16.296 Base-Backbone interact. energy: -0.052 local terms energy: -31.321859 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -7.202 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -4.938 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: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -44.161223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.161223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.161223 (E_RNA) where: Base-Base interactions energy: -12.602 where: short stacking energy: -12.602 Base-Backbone interact. energy: -0.073 local terms energy: -31.486352 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -42.881317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.881317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.881317 (E_RNA) where: Base-Base interactions energy: -13.473 where: short stacking energy: -13.473 Base-Backbone interact. energy: -0.010 local terms energy: -29.398096 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -3.079 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: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -36.658133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.658133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.658133 (E_RNA) where: Base-Base interactions energy: -7.563 where: short stacking energy: -7.563 Base-Backbone interact. energy: -0.089 local terms energy: -29.006221 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -4.723 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: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -35.605245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.605245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.605245 (E_RNA) where: Base-Base interactions energy: -9.339 where: short stacking energy: -9.339 Base-Backbone interact. energy: -0.089 local terms energy: -26.177256 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -36.008495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.008495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.008495 (E_RNA) where: Base-Base interactions energy: -7.685 where: short stacking energy: -7.685 Base-Backbone interact. energy: -0.007 local terms energy: -28.317035 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -35.807532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.807532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.807532 (E_RNA) where: Base-Base interactions energy: -12.383 where: short stacking energy: -12.383 Base-Backbone interact. energy: -0.003 local terms energy: -23.421335 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -4.783 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: 8, replica: 2 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -35.213834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.213834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.213834 (E_RNA) where: Base-Base interactions energy: -6.910 where: short stacking energy: -6.910 Base-Backbone interact. energy: -0.000 local terms energy: -28.303381 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -3.981 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: 9, replica: 3 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -35.895246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.895246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.895246 (E_RNA) where: Base-Base interactions energy: -10.387 where: short stacking energy: -8.745 Base-Backbone interact. energy: -0.074 local terms energy: -25.433518 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -5.268 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: 10, replica: 5 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -35.699883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.699883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.699883 (E_RNA) where: Base-Base interactions energy: -6.821 where: short stacking energy: -6.821 Base-Backbone interact. energy: -0.399 local terms energy: -28.479828 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -5.286 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: 1, replica: 4 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -40.548128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.548128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.548128 (E_RNA) where: Base-Base interactions energy: -11.184 where: short stacking energy: -11.184 Base-Backbone interact. energy: -0.147 local terms energy: -29.216461 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -47.798311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.798311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.798311 (E_RNA) where: Base-Base interactions energy: -14.787 where: short stacking energy: -14.787 Base-Backbone interact. energy: -0.000 local terms energy: -33.011545 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -43.570824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.570824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.570824 (E_RNA) where: Base-Base interactions energy: -13.800 where: short stacking energy: -13.800 Base-Backbone interact. energy: -0.024 local terms energy: -29.746932 where: bonds (distance) C4'-P energy: -2.908 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -7.099 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: 9 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -39.640229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.640229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.640229 (E_RNA) where: Base-Base interactions energy: -12.661 where: short stacking energy: -12.661 Base-Backbone interact. energy: -0.003 local terms energy: -26.977142 where: bonds (distance) C4'-P energy: -3.337 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -41.077546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.077546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.077546 (E_RNA) where: Base-Base interactions energy: -12.422 where: short stacking energy: -12.422 Base-Backbone interact. energy: -0.000 local terms energy: -28.655765 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -32.683598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.683598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.683598 (E_RNA) where: Base-Base interactions energy: -9.253 where: short stacking energy: -9.253 Base-Backbone interact. energy: -0.073 local terms energy: -23.357586 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -6.144 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -2.004 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -38.456194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.456194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.456194 (E_RNA) where: Base-Base interactions energy: -12.618 where: short stacking energy: -10.578 Base-Backbone interact. energy: -0.033 local terms energy: -25.806033 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -4.270 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: 7 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -37.618038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.618038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.618038 (E_RNA) where: Base-Base interactions energy: -11.836 where: short stacking energy: -11.836 Base-Backbone interact. energy: -0.000 local terms energy: -25.782490 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -4.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -39.381434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.381434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.381434 (E_RNA) where: Base-Base interactions energy: -8.541 where: short stacking energy: -8.541 Base-Backbone interact. energy: -0.004 local terms energy: -30.836812 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -33.995658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.995658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.995658 (E_RNA) where: Base-Base interactions energy: -3.000 where: short stacking energy: -3.000 Base-Backbone interact. energy: -0.000 local terms energy: -30.995390 where: bonds (distance) C4'-P energy: -8.090 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -4.052 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: 1, replica: 4 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -48.163117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.163117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.163117 (E_RNA) where: Base-Base interactions energy: -18.386 where: short stacking energy: -15.647 Base-Backbone interact. energy: -0.002 local terms energy: -29.775589 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -4.539 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: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -49.353532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.353532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.353532 (E_RNA) where: Base-Base interactions energy: -15.536 where: short stacking energy: -15.536 Base-Backbone interact. energy: -0.000 local terms energy: -33.817208 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -7.902 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: 3, replica: 8 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -45.327077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.327077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.327077 (E_RNA) where: Base-Base interactions energy: -16.206 where: short stacking energy: -16.206 Base-Backbone interact. energy: -0.167 local terms energy: -28.953786 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -7.904 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -38.513394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.513394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.513394 (E_RNA) where: Base-Base interactions energy: -6.675 where: short stacking energy: -6.675 Base-Backbone interact. energy: -0.000 local terms energy: -31.838417 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -39.933041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.933041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.933041 (E_RNA) where: Base-Base interactions energy: -12.570 where: short stacking energy: -12.570 Base-Backbone interact. energy: -0.014 local terms energy: -27.348534 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -3.165 tors. eta vs tors. theta energy: -4.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -36.256447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.256447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.256447 (E_RNA) where: Base-Base interactions energy: -10.238 where: short stacking energy: -10.138 Base-Backbone interact. energy: -0.148 local terms energy: -25.870209 where: bonds (distance) C4'-P energy: -5.897 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -3.003 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: 7, replica: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -32.512840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.512840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.512840 (E_RNA) where: Base-Base interactions energy: -7.749 where: short stacking energy: -6.556 Base-Backbone interact. energy: -0.007 local terms energy: -24.756759 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -6.117 flat angles C4'-P-C4' energy: -3.652 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -33.419342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.419342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.419342 (E_RNA) where: Base-Base interactions energy: -7.479 where: short stacking energy: -7.479 Base-Backbone interact. energy: -0.088 local terms energy: -25.852054 where: bonds (distance) C4'-P energy: -6.624 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: 0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -35.243793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.243793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.243793 (E_RNA) where: Base-Base interactions energy: -7.086 where: short stacking energy: -7.309 Base-Backbone interact. energy: -0.000 local terms energy: -28.157603 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -35.784407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.784407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.784407 (E_RNA) where: Base-Base interactions energy: -7.409 where: short stacking energy: -7.409 Base-Backbone interact. energy: -0.002 local terms energy: -28.373297 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: 0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -48.609366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.609366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.609366 (E_RNA) where: Base-Base interactions energy: -16.490 where: short stacking energy: -16.490 Base-Backbone interact. energy: -0.000 local terms energy: -32.119259 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -5.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -41.760728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.760728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.760728 (E_RNA) where: Base-Base interactions energy: -17.027 where: short stacking energy: -14.733 Base-Backbone interact. energy: -0.157 local terms energy: -24.576390 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -5.729 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: 3, replica: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -39.981671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.981671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.981671 (E_RNA) where: Base-Base interactions energy: -10.128 where: short stacking energy: -10.128 Base-Backbone interact. energy: -0.116 local terms energy: -29.737592 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -40.571588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.571588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.571588 (E_RNA) where: Base-Base interactions energy: -12.762 where: short stacking energy: -12.762 Base-Backbone interact. energy: -0.001 local terms energy: -27.807708 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -2.559 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: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -36.624723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.624723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.624723 (E_RNA) where: Base-Base interactions energy: -7.945 where: short stacking energy: -7.945 Base-Backbone interact. energy: -0.139 local terms energy: -28.540762 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -36.124657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.124657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.124657 (E_RNA) where: Base-Base interactions energy: -5.495 where: short stacking energy: -5.495 Base-Backbone interact. energy: -0.005 local terms energy: -30.625123 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -6.378 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -31.848509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.848509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.848509 (E_RNA) where: Base-Base interactions energy: -4.543 where: short stacking energy: -4.543 Base-Backbone interact. energy: -0.036 local terms energy: -27.269764 where: bonds (distance) C4'-P energy: -6.890 bonds (distance) P-C4' energy: -7.457 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -1.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -34.049716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.049716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.049716 (E_RNA) where: Base-Base interactions energy: -5.832 where: short stacking energy: -5.832 Base-Backbone interact. energy: -1.328 local terms energy: -26.889185 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.349 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -5.641 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: 3 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -38.226754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.226754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.226754 (E_RNA) where: Base-Base interactions energy: -12.095 where: short stacking energy: -12.095 Base-Backbone interact. energy: -0.000 local terms energy: -26.131618 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -2.590 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: 10, replica: 7 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -29.081945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.081945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.081945 (E_RNA) where: Base-Base interactions energy: -5.273 where: short stacking energy: -5.273 Base-Backbone interact. energy: -0.262 local terms energy: -23.547266 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -50.908500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.908500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.908500 (E_RNA) where: Base-Base interactions energy: -17.376 where: short stacking energy: -17.376 Base-Backbone interact. energy: -0.034 local terms energy: -33.498753 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -45.274836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.274836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.274836 (E_RNA) where: Base-Base interactions energy: -14.698 where: short stacking energy: -14.698 Base-Backbone interact. energy: -0.003 local terms energy: -30.574378 where: bonds (distance) C4'-P energy: -4.277 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -6.797 tors. eta vs tors. theta energy: -4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -45.752606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.752606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.752606 (E_RNA) where: Base-Base interactions energy: -14.279 where: short stacking energy: -13.294 Base-Backbone interact. energy: -0.000 local terms energy: -31.472938 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -4.407 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -6.482 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: 8 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -40.395842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.395842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.395842 (E_RNA) where: Base-Base interactions energy: -14.976 where: short stacking energy: -14.976 Base-Backbone interact. energy: -0.005 local terms energy: -25.414772 where: bonds (distance) C4'-P energy: -5.172 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -35.656841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.656841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.656841 (E_RNA) where: Base-Base interactions energy: -10.173 where: short stacking energy: -10.173 Base-Backbone interact. energy: -0.021 local terms energy: -25.462699 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -6.894 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -1.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -36.368692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.368692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.368692 (E_RNA) where: Base-Base interactions energy: -6.537 where: short stacking energy: -6.537 Base-Backbone interact. energy: -0.030 local terms energy: -29.801240 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -4.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -33.850013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.850013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.850013 (E_RNA) where: Base-Base interactions energy: -6.933 where: short stacking energy: -6.933 Base-Backbone interact. energy: -0.003 local terms energy: -26.913855 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -4.955 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: 8, replica: 3 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -33.040081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.040081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.040081 (E_RNA) where: Base-Base interactions energy: -7.925 where: short stacking energy: -7.925 Base-Backbone interact. energy: -0.019 local terms energy: -25.095495 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -35.320245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.320245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.320245 (E_RNA) where: Base-Base interactions energy: -7.477 where: short stacking energy: -7.477 Base-Backbone interact. energy: -0.026 local terms energy: -27.817656 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -31.463635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.463635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.463635 (E_RNA) where: Base-Base interactions energy: -3.999 where: short stacking energy: -3.999 Base-Backbone interact. energy: 0.165 local terms energy: -27.629872 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -46.279806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.279806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.279806 (E_RNA) where: Base-Base interactions energy: -16.854 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.103 local terms energy: -29.323125 where: bonds (distance) C4'-P energy: -7.659 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -3.061 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: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -42.663938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.663938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.663938 (E_RNA) where: Base-Base interactions energy: -11.906 where: short stacking energy: -11.906 Base-Backbone interact. energy: -0.104 local terms energy: -30.654130 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -5.946 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: 3, replica: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -41.178521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.178521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.178521 (E_RNA) where: Base-Base interactions energy: -13.842 where: short stacking energy: -13.842 Base-Backbone interact. energy: -0.000 local terms energy: -27.336414 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.177 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: 4, replica: 8 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -34.525543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.525543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.525543 (E_RNA) where: Base-Base interactions energy: -10.859 where: short stacking energy: -10.859 Base-Backbone interact. energy: -0.093 local terms energy: -23.573663 where: bonds (distance) C4'-P energy: -4.345 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -5.480 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: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -37.287791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.287791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.287791 (E_RNA) where: Base-Base interactions energy: -14.479 where: short stacking energy: -14.479 Base-Backbone interact. energy: -0.173 local terms energy: -22.634935 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -4.644 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -1.352 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: 6, replica: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -41.148316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.148316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.148316 (E_RNA) where: Base-Base interactions energy: -12.046 where: short stacking energy: -12.046 Base-Backbone interact. energy: -0.000 local terms energy: -29.101845 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -3.229 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: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -40.766246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.766246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.766246 (E_RNA) where: Base-Base interactions energy: -9.893 where: short stacking energy: -9.893 Base-Backbone interact. energy: -0.147 local terms energy: -30.726327 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -6.312 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: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -35.085551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.085551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.085551 (E_RNA) where: Base-Base interactions energy: -11.704 where: short stacking energy: -11.704 Base-Backbone interact. energy: -0.049 local terms energy: -23.332695 where: bonds (distance) C4'-P energy: -5.552 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -2.963 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: 9, replica: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -32.288432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.288432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.288432 (E_RNA) where: Base-Base interactions energy: -5.463 where: short stacking energy: -5.463 Base-Backbone interact. energy: -0.007 local terms energy: -26.818812 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -4.549 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: 10, replica: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -34.888580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.888580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.888580 (E_RNA) where: Base-Base interactions energy: -6.281 where: short stacking energy: -6.281 Base-Backbone interact. energy: -0.000 local terms energy: -28.607044 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -50.678641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.678641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.678641 (E_RNA) where: Base-Base interactions energy: -18.253 where: short stacking energy: -18.253 Base-Backbone interact. energy: -0.000 local terms energy: -32.425611 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -6.415 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -42.625892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.625892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.625892 (E_RNA) where: Base-Base interactions energy: -10.747 where: short stacking energy: -10.747 Base-Backbone interact. energy: -0.047 local terms energy: -31.831780 where: bonds (distance) C4'-P energy: -6.836 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -45.312238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.312238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.312238 (E_RNA) where: Base-Base interactions energy: -15.481 where: short stacking energy: -15.481 Base-Backbone interact. energy: -0.000 local terms energy: -29.830584 where: bonds (distance) C4'-P energy: -6.712 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -5.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -35.001635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.001635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.001635 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.015 local terms energy: -27.961453 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -7.439 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -36.834138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.834138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.834138 (E_RNA) where: Base-Base interactions energy: -10.893 where: short stacking energy: -10.893 Base-Backbone interact. energy: -0.096 local terms energy: -25.845188 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -2.168 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: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -36.565470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.565470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.565470 (E_RNA) where: Base-Base interactions energy: -7.293 where: short stacking energy: -7.293 Base-Backbone interact. energy: -0.016 local terms energy: -29.256236 where: bonds (distance) C4'-P energy: -6.165 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -36.776058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.776058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.776058 (E_RNA) where: Base-Base interactions energy: -7.678 where: short stacking energy: -7.678 Base-Backbone interact. energy: -0.028 local terms energy: -29.069582 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -34.446186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.446186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.446186 (E_RNA) where: Base-Base interactions energy: -4.586 where: short stacking energy: -4.586 Base-Backbone interact. energy: -0.089 local terms energy: -29.770954 where: bonds (distance) C4'-P energy: -5.532 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -6.807 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: 9, replica: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -35.634848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.634848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.634848 (E_RNA) where: Base-Base interactions energy: -7.473 where: short stacking energy: -7.473 Base-Backbone interact. energy: -0.137 local terms energy: -28.024761 where: bonds (distance) C4'-P energy: -6.189 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -4.295 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: 1 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -31.485467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.485467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.485467 (E_RNA) where: Base-Base interactions energy: -7.577 where: short stacking energy: -7.577 Base-Backbone interact. energy: -0.101 local terms energy: -23.807609 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -5.035 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -2.713 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: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -48.394133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.394133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.394133 (E_RNA) where: Base-Base interactions energy: -14.135 where: short stacking energy: -14.135 Base-Backbone interact. energy: -0.000 local terms energy: -34.259278 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -6.620 tors. eta vs tors. theta energy: -7.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -44.240205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.240205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.240205 (E_RNA) where: Base-Base interactions energy: -15.591 where: short stacking energy: -15.591 Base-Backbone interact. energy: -0.004 local terms energy: -28.645275 where: bonds (distance) C4'-P energy: -5.507 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -5.100 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: 3, replica: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -38.008471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.008471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.008471 (E_RNA) where: Base-Base interactions energy: -16.250 where: short stacking energy: -12.588 Base-Backbone interact. energy: -0.025 local terms energy: -21.734169 where: bonds (distance) C4'-P energy: -5.781 bonds (distance) P-C4' energy: -3.607 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -0.350 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: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -38.208911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.208911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.208911 (E_RNA) where: Base-Base interactions energy: -11.458 where: short stacking energy: -11.458 Base-Backbone interact. energy: 1.937 local terms energy: -28.687678 where: bonds (distance) C4'-P energy: -7.254 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -34.686562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.686562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.686562 (E_RNA) where: Base-Base interactions energy: -6.367 where: short stacking energy: -6.367 Base-Backbone interact. energy: -0.008 local terms energy: -28.311338 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -6.501 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: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -36.996624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.996624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.996624 (E_RNA) where: Base-Base interactions energy: -9.114 where: short stacking energy: -9.114 Base-Backbone interact. energy: -0.001 local terms energy: -27.881282 where: bonds (distance) C4'-P energy: -5.218 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -4.924 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: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -36.812768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.812768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.812768 (E_RNA) where: Base-Base interactions energy: -9.620 where: short stacking energy: -9.620 Base-Backbone interact. energy: -0.000 local terms energy: -27.192590 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -4.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -37.312335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.312335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.312335 (E_RNA) where: Base-Base interactions energy: -9.852 where: short stacking energy: -9.852 Base-Backbone interact. energy: -0.063 local terms energy: -27.396686 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -6.436 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -36.254759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.254759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.254759 (E_RNA) where: Base-Base interactions energy: -8.410 where: short stacking energy: -8.410 Base-Backbone interact. energy: -0.017 local terms energy: -27.827565 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -4.723 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: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -27.672876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.672876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.672876 (E_RNA) where: Base-Base interactions energy: -3.423 where: short stacking energy: -3.423 Base-Backbone interact. energy: -0.049 local terms energy: -24.201342 where: bonds (distance) C4'-P energy: -5.217 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -53.929258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.929258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.929258 (E_RNA) where: Base-Base interactions energy: -20.515 where: short stacking energy: -20.515 Base-Backbone interact. energy: -0.743 local terms energy: -32.670685 where: bonds (distance) C4'-P energy: -6.518 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -6.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -41.587970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.587970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.587970 (E_RNA) where: Base-Base interactions energy: -10.386 where: short stacking energy: -10.386 Base-Backbone interact. energy: -0.055 local terms energy: -31.146754 where: bonds (distance) C4'-P energy: -5.338 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -4.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -40.380035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.380035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.380035 (E_RNA) where: Base-Base interactions energy: -13.344 where: short stacking energy: -13.344 Base-Backbone interact. energy: -0.035 local terms energy: -27.001455 where: bonds (distance) C4'-P energy: -5.897 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -3.950 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: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -46.443708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.443708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.443708 (E_RNA) where: Base-Base interactions energy: -13.758 where: short stacking energy: -13.758 Base-Backbone interact. energy: -0.073 local terms energy: -32.612140 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -40.370472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.370472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.370472 (E_RNA) where: Base-Base interactions energy: -10.200 where: short stacking energy: -10.200 Base-Backbone interact. energy: -0.059 local terms energy: -30.111675 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -38.560635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.560635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.560635 (E_RNA) where: Base-Base interactions energy: -7.349 where: short stacking energy: -7.349 Base-Backbone interact. energy: -0.004 local terms energy: -31.207199 where: bonds (distance) C4'-P energy: -6.518 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -4.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -35.032817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.032817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.032817 (E_RNA) where: Base-Base interactions energy: -7.860 where: short stacking energy: -7.860 Base-Backbone interact. energy: -0.050 local terms energy: -27.122409 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -36.584181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.584181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.584181 (E_RNA) where: Base-Base interactions energy: -8.190 where: short stacking energy: -8.190 Base-Backbone interact. energy: -0.032 local terms energy: -28.361518 where: bonds (distance) C4'-P energy: -6.820 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -5.280 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: 9, replica: 2 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -28.198912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.198912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.198912 (E_RNA) where: Base-Base interactions energy: -4.400 where: short stacking energy: -4.400 Base-Backbone interact. energy: -0.082 local terms energy: -23.716876 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -7.904 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -1.638 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -31.170421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.170421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.170421 (E_RNA) where: Base-Base interactions energy: -7.263 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.016 local terms energy: -23.891785 where: bonds (distance) C4'-P energy: -6.410 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -4.751 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: 1, replica: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -41.898342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.898342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.898342 (E_RNA) where: Base-Base interactions energy: -11.789 where: short stacking energy: -10.198 Base-Backbone interact. energy: -0.072 local terms energy: -30.038277 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -51.079905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.079905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.079905 (E_RNA) where: Base-Base interactions energy: -19.239 where: short stacking energy: -19.239 Base-Backbone interact. energy: 0.425 local terms energy: -32.266227 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -7.221 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -6.598 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: 9 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -45.463896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.463896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.463896 (E_RNA) where: Base-Base interactions energy: -17.394 where: short stacking energy: -17.394 Base-Backbone interact. energy: -0.001 local terms energy: -28.068345 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -37.219543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.219543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.219543 (E_RNA) where: Base-Base interactions energy: -10.815 where: short stacking energy: -10.815 Base-Backbone interact. energy: -0.257 local terms energy: -26.147283 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -39.499316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.499316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.499316 (E_RNA) where: Base-Base interactions energy: -9.277 where: short stacking energy: -9.277 Base-Backbone interact. energy: -0.030 local terms energy: -30.192553 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -5.821 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: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -42.243793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.243793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.243793 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -12.023 Base-Backbone interact. energy: -0.048 local terms energy: -30.172967 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -5.976 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: 7, replica: 1 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -37.352227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.352227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.352227 (E_RNA) where: Base-Base interactions energy: -10.706 where: short stacking energy: -10.706 Base-Backbone interact. energy: -0.001 local terms energy: -26.645202 where: bonds (distance) C4'-P energy: -6.587 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -31.826373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.826373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.826373 (E_RNA) where: Base-Base interactions energy: -6.878 where: short stacking energy: -6.878 Base-Backbone interact. energy: -0.032 local terms energy: -24.915972 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -2.724 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: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -32.309803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.309803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.309803 (E_RNA) where: Base-Base interactions energy: -6.666 where: short stacking energy: -6.666 Base-Backbone interact. energy: -0.071 local terms energy: -25.573362 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -6.846 tors. eta vs tors. theta energy: 0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -43.820570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.820570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.820570 (E_RNA) where: Base-Base interactions energy: -16.075 where: short stacking energy: -16.075 Base-Backbone interact. energy: -0.000 local terms energy: -27.745814 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -5.381 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: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -46.325640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.325640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.325640 (E_RNA) where: Base-Base interactions energy: -13.243 where: short stacking energy: -13.243 Base-Backbone interact. energy: -0.000 local terms energy: -33.082508 where: bonds (distance) C4'-P energy: -6.112 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -6.430 tors. eta vs tors. theta energy: -4.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -43.846285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.846285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.846285 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -11.652 Base-Backbone interact. energy: -0.006 local terms energy: -32.188129 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -5.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -39.346280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.346280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.346280 (E_RNA) where: Base-Base interactions energy: -10.097 where: short stacking energy: -10.097 Base-Backbone interact. energy: -0.034 local terms energy: -29.215038 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -5.130 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: 4, replica: 7 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -35.080199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.080199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.080199 (E_RNA) where: Base-Base interactions energy: -6.963 where: short stacking energy: -6.963 Base-Backbone interact. energy: -0.005 local terms energy: -28.112193 where: bonds (distance) C4'-P energy: -4.907 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -40.798233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.798233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.798233 (E_RNA) where: Base-Base interactions energy: -13.326 where: short stacking energy: -13.326 Base-Backbone interact. energy: -0.000 local terms energy: -27.472164 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -4.797 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -35.089565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.089565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.089565 (E_RNA) where: Base-Base interactions energy: -6.312 where: short stacking energy: -6.312 Base-Backbone interact. energy: -0.003 local terms energy: -28.774431 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -7.258 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -30.891703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.891703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.891703 (E_RNA) where: Base-Base interactions energy: -1.990 where: short stacking energy: -1.990 Base-Backbone interact. energy: -0.034 local terms energy: -28.867791 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -4.241 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: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -30.896047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.896047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.896047 (E_RNA) where: Base-Base interactions energy: -6.357 where: short stacking energy: -6.357 Base-Backbone interact. energy: -0.131 local terms energy: -24.407682 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -2.368 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: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -30.637535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.637535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.637535 (E_RNA) where: Base-Base interactions energy: -2.798 where: short stacking energy: -2.798 Base-Backbone interact. energy: -0.010 local terms energy: -27.828721 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.021 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: 10, replica: 2 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -37.170638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.170638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.170638 (E_RNA) where: Base-Base interactions energy: -10.283 where: short stacking energy: -10.283 Base-Backbone interact. energy: -0.012 local terms energy: -26.876514 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -1.361 tors. eta vs tors. theta energy: -5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -44.186901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.186901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.186901 (E_RNA) where: Base-Base interactions energy: -18.473 where: short stacking energy: -13.134 Base-Backbone interact. energy: -0.170 local terms energy: -25.543144 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -50.355113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.355113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.355113 (E_RNA) where: Base-Base interactions energy: -17.391 where: short stacking energy: -17.391 Base-Backbone interact. energy: -1.137 local terms energy: -31.827133 where: bonds (distance) C4'-P energy: -5.461 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -6.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -35.593206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.593206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.593206 (E_RNA) where: Base-Base interactions energy: -9.338 where: short stacking energy: -9.338 Base-Backbone interact. energy: -0.158 local terms energy: -26.096376 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -3.928 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: 4, replica: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -40.334263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.334263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.334263 (E_RNA) where: Base-Base interactions energy: -9.841 where: short stacking energy: -9.841 Base-Backbone interact. energy: -0.000 local terms energy: -30.493629 where: bonds (distance) C4'-P energy: -6.451 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -4.764 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: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -40.304129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.304129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.304129 (E_RNA) where: Base-Base interactions energy: -13.250 where: short stacking energy: -13.250 Base-Backbone interact. energy: -0.000 local terms energy: -27.054147 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -2.923 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -32.438302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.438302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.438302 (E_RNA) where: Base-Base interactions energy: -12.816 where: short stacking energy: -12.816 Base-Backbone interact. energy: -0.065 local terms energy: -19.556833 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -0.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -34.507658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.507658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.507658 (E_RNA) where: Base-Base interactions energy: -13.816 where: short stacking energy: -12.740 Base-Backbone interact. energy: -0.003 local terms energy: -20.688221 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -4.548 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -3.800 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: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -33.062890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.062890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.062890 (E_RNA) where: Base-Base interactions energy: -10.169 where: short stacking energy: -10.169 Base-Backbone interact. energy: -0.006 local terms energy: -22.888576 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -3.100 flat angles P-C4'-P energy: -5.159 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: 9, replica: 2 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -31.776029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.776029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.776029 (E_RNA) where: Base-Base interactions energy: -8.829 where: short stacking energy: -9.108 Base-Backbone interact. energy: -0.104 local terms energy: -22.842603 where: bonds (distance) C4'-P energy: -4.915 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -3.618 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: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -35.949594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.949594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.949594 (E_RNA) where: Base-Base interactions energy: -11.846 where: short stacking energy: -10.766 Base-Backbone interact. energy: -0.360 local terms energy: -23.744234 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -3.399 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -5.459 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: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -47.687811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.687811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.687811 (E_RNA) where: Base-Base interactions energy: -18.860 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.002 local terms energy: -28.826399 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -50.337680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.337680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.337680 (E_RNA) where: Base-Base interactions energy: -18.467 where: short stacking energy: -18.467 Base-Backbone interact. energy: -0.250 local terms energy: -31.620880 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -5.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -42.966952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.966952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.966952 (E_RNA) where: Base-Base interactions energy: -12.127 where: short stacking energy: -12.127 Base-Backbone interact. energy: -0.037 local terms energy: -30.803461 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -4.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -42.002000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.002000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.002000 (E_RNA) where: Base-Base interactions energy: -13.759 where: short stacking energy: -13.759 Base-Backbone interact. energy: -0.003 local terms energy: -28.240314 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -3.239 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: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -38.754266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.754266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.754266 (E_RNA) where: Base-Base interactions energy: -11.393 where: short stacking energy: -11.393 Base-Backbone interact. energy: -0.026 local terms energy: -27.335208 where: bonds (distance) C4'-P energy: -6.713 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -5.016 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: 6, replica: 8 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -42.424335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.424335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.424335 (E_RNA) where: Base-Base interactions energy: -12.284 where: short stacking energy: -12.284 Base-Backbone interact. energy: -1.050 local terms energy: -29.090155 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -6.798 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.102 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: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -33.259736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.259736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.259736 (E_RNA) where: Base-Base interactions energy: -7.609 where: short stacking energy: -7.609 Base-Backbone interact. energy: -0.144 local terms energy: -25.506623 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: 1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -34.202031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.202031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.202031 (E_RNA) where: Base-Base interactions energy: -9.664 where: short stacking energy: -9.664 Base-Backbone interact. energy: -0.107 local terms energy: -24.431673 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -31.203847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.203847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.203847 (E_RNA) where: Base-Base interactions energy: -5.705 where: short stacking energy: -5.705 Base-Backbone interact. energy: -0.097 local terms energy: -25.402015 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -2.460 tors. eta vs tors. theta energy: -1.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -29.218838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.218838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.218838 (E_RNA) where: Base-Base interactions energy: -10.671 where: short stacking energy: -10.671 Base-Backbone interact. energy: -0.024 local terms energy: -18.523624 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -1.730 flat angles P-C4'-P energy: -4.665 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: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -46.183406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.183406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.183406 (E_RNA) where: Base-Base interactions energy: -17.717 where: short stacking energy: -16.877 Base-Backbone interact. energy: -0.071 local terms energy: -28.395543 where: bonds (distance) C4'-P energy: -5.979 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -49.018688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.018688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.018688 (E_RNA) where: Base-Base interactions energy: -15.896 where: short stacking energy: -14.511 Base-Backbone interact. energy: -0.099 local terms energy: -33.023151 where: bonds (distance) C4'-P energy: -3.624 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -7.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -39.467427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.467427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.467427 (E_RNA) where: Base-Base interactions energy: -12.658 where: short stacking energy: -12.658 Base-Backbone interact. energy: -0.000 local terms energy: -26.809306 where: bonds (distance) C4'-P energy: -7.449 bonds (distance) P-C4' energy: -6.703 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -2.077 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: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -47.231293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.231293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.231293 (E_RNA) where: Base-Base interactions energy: -14.447 where: short stacking energy: -14.447 Base-Backbone interact. energy: -0.001 local terms energy: -32.783393 where: bonds (distance) C4'-P energy: -4.848 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -35.418818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.418818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.418818 (E_RNA) where: Base-Base interactions energy: -6.291 where: short stacking energy: -6.291 Base-Backbone interact. energy: -0.000 local terms energy: -29.127592 where: bonds (distance) C4'-P energy: -5.561 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -5.496 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: 6, replica: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -37.674165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.674165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.674165 (E_RNA) where: Base-Base interactions energy: -13.060 where: short stacking energy: -13.060 Base-Backbone interact. energy: -0.000 local terms energy: -24.613988 where: bonds (distance) C4'-P energy: -5.002 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -3.295 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -39.839158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.839158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.839158 (E_RNA) where: Base-Base interactions energy: -13.877 where: short stacking energy: -12.319 Base-Backbone interact. energy: -0.066 local terms energy: -25.896182 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -2.178 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -36.592990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.592990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.592990 (E_RNA) where: Base-Base interactions energy: -9.065 where: short stacking energy: -9.065 Base-Backbone interact. energy: 0.995 local terms energy: -28.523001 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -4.727 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: 9, replica: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -30.029015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.029015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.029015 (E_RNA) where: Base-Base interactions energy: -3.958 where: short stacking energy: -1.987 Base-Backbone interact. energy: -0.023 local terms energy: -26.047165 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -3.542 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: 10, replica: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -30.236766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.236766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.236766 (E_RNA) where: Base-Base interactions energy: -9.061 where: short stacking energy: -7.430 Base-Backbone interact. energy: -0.265 local terms energy: -20.910962 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -5.363 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -2.865 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: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -48.530668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.530668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.530668 (E_RNA) where: Base-Base interactions energy: -17.765 where: short stacking energy: -16.558 Base-Backbone interact. energy: -0.371 local terms energy: -30.394897 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -5.381 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: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -46.116180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.116180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.116180 (E_RNA) where: Base-Base interactions energy: -14.145 where: short stacking energy: -14.145 Base-Backbone interact. energy: -0.134 local terms energy: -31.838008 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -5.101 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: 3, replica: 5 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -39.485406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.485406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.485406 (E_RNA) where: Base-Base interactions energy: -11.786 where: short stacking energy: -11.786 Base-Backbone interact. energy: -0.048 local terms energy: -27.650687 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -1.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -36.806767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.806767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.806767 (E_RNA) where: Base-Base interactions energy: -7.000 where: short stacking energy: -7.000 Base-Backbone interact. energy: -0.169 local terms energy: -29.637283 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -6.979 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -5.159 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: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -34.152710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.152710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.152710 (E_RNA) where: Base-Base interactions energy: -7.789 where: short stacking energy: -6.436 Base-Backbone interact. energy: 0.119 local terms energy: -26.481964 where: bonds (distance) C4'-P energy: -5.470 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -3.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -36.392639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.392639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.392639 (E_RNA) where: Base-Base interactions energy: -10.177 where: short stacking energy: -10.177 Base-Backbone interact. energy: -0.120 local terms energy: -26.095418 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -38.592572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.592572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.592572 (E_RNA) where: Base-Base interactions energy: -9.801 where: short stacking energy: -9.801 Base-Backbone interact. energy: -0.014 local terms energy: -28.777796 where: bonds (distance) C4'-P energy: -4.699 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.694 flat angles P-C4'-P energy: -5.249 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: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -32.217061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.217061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.217061 (E_RNA) where: Base-Base interactions energy: -6.481 where: short stacking energy: -6.481 Base-Backbone interact. energy: 0.543 local terms energy: -26.278514 where: bonds (distance) C4'-P energy: -5.329 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -4.843 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: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -31.173684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.173684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.173684 (E_RNA) where: Base-Base interactions energy: -10.158 where: short stacking energy: -10.158 Base-Backbone interact. energy: -0.118 local terms energy: -20.897382 where: bonds (distance) C4'-P energy: -6.119 bonds (distance) P-C4' energy: -7.901 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -3.608 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: 10, replica: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -30.518108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.518108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.518108 (E_RNA) where: Base-Base interactions energy: -5.696 where: short stacking energy: -5.696 Base-Backbone interact. energy: -0.009 local terms energy: -24.813543 where: bonds (distance) C4'-P energy: -4.406 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -0.642 tors. eta vs tors. theta energy: -5.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -37.314268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.314268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.314268 (E_RNA) where: Base-Base interactions energy: -9.796 where: short stacking energy: -9.796 Base-Backbone interact. energy: -0.007 local terms energy: -27.510978 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.996 flat angles P-C4'-P energy: -3.961 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: 2, replica: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -42.928961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.928961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.928961 (E_RNA) where: Base-Base interactions energy: -12.729 where: short stacking energy: -12.729 Base-Backbone interact. energy: -0.051 local terms energy: -30.148886 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -6.098 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: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -41.372099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.372099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.372099 (E_RNA) where: Base-Base interactions energy: -10.112 where: short stacking energy: -10.112 Base-Backbone interact. energy: -0.002 local terms energy: -31.257712 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -5.541 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: 38 Temperature: 1.050000 Total energy: -36.153506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.153506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.153506 (E_RNA) where: Base-Base interactions energy: -10.007 where: short stacking energy: -10.007 Base-Backbone interact. energy: -0.001 local terms energy: -26.145599 where: bonds (distance) C4'-P energy: -3.714 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -44.684945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.684945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.684945 (E_RNA) where: Base-Base interactions energy: -15.066 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.512 local terms energy: -29.107484 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -5.062 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: 6, replica: 7 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -34.731635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.731635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.731635 (E_RNA) where: Base-Base interactions energy: -7.211 where: short stacking energy: -7.211 Base-Backbone interact. energy: 0.011 local terms energy: -27.532569 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -4.824 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: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -32.975080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.975080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.975080 (E_RNA) where: Base-Base interactions energy: -6.303 where: short stacking energy: -6.303 Base-Backbone interact. energy: -0.079 local terms energy: -26.592897 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -4.348 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -6.209 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: 8, replica: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -35.309783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.309783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.309783 (E_RNA) where: Base-Base interactions energy: -7.543 where: short stacking energy: -7.543 Base-Backbone interact. energy: -0.007 local terms energy: -27.760110 where: bonds (distance) C4'-P energy: -5.925 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -4.782 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: 9, replica: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -35.307199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.307199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.307199 (E_RNA) where: Base-Base interactions energy: -6.326 where: short stacking energy: -6.326 Base-Backbone interact. energy: 0.372 local terms energy: -29.353216 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.956 flat angles P-C4'-P energy: -6.256 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: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -34.463102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.463102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.463102 (E_RNA) where: Base-Base interactions energy: -5.978 where: short stacking energy: -5.978 Base-Backbone interact. energy: -0.015 local terms energy: -28.470123 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -4.464 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: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -47.939064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.939064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.939064 (E_RNA) where: Base-Base interactions energy: -18.932 where: short stacking energy: -18.021 Base-Backbone interact. energy: -0.080 local terms energy: -28.926992 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -44.464621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.464621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.464621 (E_RNA) where: Base-Base interactions energy: -12.835 where: short stacking energy: -10.581 Base-Backbone interact. energy: -0.019 local terms energy: -31.610084 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -6.893 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: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -44.627284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.627284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.627284 (E_RNA) where: Base-Base interactions energy: -12.084 where: short stacking energy: -12.084 Base-Backbone interact. energy: -0.000 local terms energy: -32.543606 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -41.007802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.007802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.007802 (E_RNA) where: Base-Base interactions energy: -15.483 where: short stacking energy: -15.483 Base-Backbone interact. energy: -0.000 local terms energy: -25.524727 where: bonds (distance) C4'-P energy: -4.560 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -41.646761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.646761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.646761 (E_RNA) where: Base-Base interactions energy: -10.843 where: short stacking energy: -10.843 Base-Backbone interact. energy: -0.000 local terms energy: -30.803747 where: bonds (distance) C4'-P energy: -6.844 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -5.424 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: 6, replica: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -40.709866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.709866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.709866 (E_RNA) where: Base-Base interactions energy: -12.500 where: short stacking energy: -12.500 Base-Backbone interact. energy: -0.000 local terms energy: -28.210244 where: bonds (distance) C4'-P energy: -3.143 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -5.516 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: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -33.223660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.223660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.223660 (E_RNA) where: Base-Base interactions energy: -5.378 where: short stacking energy: -5.378 Base-Backbone interact. energy: -0.140 local terms energy: -27.705640 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -5.847 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: 8, replica: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -36.184556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.184556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.184556 (E_RNA) where: Base-Base interactions energy: -7.171 where: short stacking energy: -7.171 Base-Backbone interact. energy: -0.038 local terms energy: -28.974973 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -3.089 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: 9, replica: 4 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -30.966224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.966224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.966224 (E_RNA) where: Base-Base interactions energy: -8.308 where: short stacking energy: -8.308 Base-Backbone interact. energy: -0.124 local terms energy: -22.533958 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -3.865 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: 10, replica: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -30.526988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.526988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.526988 (E_RNA) where: Base-Base interactions energy: -8.986 where: short stacking energy: -8.986 Base-Backbone interact. energy: -0.000 local terms energy: -21.540637 where: bonds (distance) C4'-P energy: -6.377 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -3.637 flat angles P-C4'-P energy: -1.041 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: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -48.099791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.099791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.099791 (E_RNA) where: Base-Base interactions energy: -17.050 where: short stacking energy: -17.050 Base-Backbone interact. energy: -0.004 local terms energy: -31.045933 where: bonds (distance) C4'-P energy: -4.203 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -5.765 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: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -46.092345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.092345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.092345 (E_RNA) where: Base-Base interactions energy: -19.175 where: short stacking energy: -12.312 Base-Backbone interact. energy: -0.008 local terms energy: -26.909368 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.955 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: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -42.159316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.159316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.159316 (E_RNA) where: Base-Base interactions energy: -13.148 where: short stacking energy: -13.148 Base-Backbone interact. energy: -0.025 local terms energy: -28.986654 where: bonds (distance) C4'-P energy: -7.734 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -41.539979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.539979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.539979 (E_RNA) where: Base-Base interactions energy: -16.269 where: short stacking energy: -16.269 Base-Backbone interact. energy: -0.002 local terms energy: -25.269006 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -3.198 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -38.460884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.460884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.460884 (E_RNA) where: Base-Base interactions energy: -12.835 where: short stacking energy: -8.870 Base-Backbone interact. energy: -0.004 local terms energy: -25.621943 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -31.758579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.758579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.758579 (E_RNA) where: Base-Base interactions energy: -4.684 where: short stacking energy: -4.684 Base-Backbone interact. energy: -0.128 local terms energy: -26.947029 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -32.921774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.921774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.921774 (E_RNA) where: Base-Base interactions energy: -4.138 where: short stacking energy: -4.138 Base-Backbone interact. energy: -0.072 local terms energy: -28.711679 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -5.170 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: 8, replica: 1 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -35.886069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.886069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.886069 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -12.715 Base-Backbone interact. energy: -0.013 local terms energy: -23.158422 where: bonds (distance) C4'-P energy: -3.822 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -1.236 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: 40 Temperature: 1.300000 Total energy: -40.636429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.636429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.636429 (E_RNA) where: Base-Base interactions energy: -16.869 where: short stacking energy: -11.457 Base-Backbone interact. energy: -0.227 local terms energy: -23.540979 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -31.122499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.122499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.122499 (E_RNA) where: Base-Base interactions energy: -8.748 where: short stacking energy: -8.748 Base-Backbone interact. energy: -0.166 local terms energy: -22.208042 where: bonds (distance) C4'-P energy: -5.677 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: 1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -40.037907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.037907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.037907 (E_RNA) where: Base-Base interactions energy: -9.252 where: short stacking energy: -9.252 Base-Backbone interact. energy: -0.002 local terms energy: -30.784248 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -6.234 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: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -40.076176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.076176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.076176 (E_RNA) where: Base-Base interactions energy: -14.046 where: short stacking energy: -14.046 Base-Backbone interact. energy: -0.010 local terms energy: -26.019698 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -3.221 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: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -45.668233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.668233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.668233 (E_RNA) where: Base-Base interactions energy: -12.960 where: short stacking energy: -12.960 Base-Backbone interact. energy: 0.060 local terms energy: -32.768244 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -5.528 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: 10 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -39.931651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.931651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.931651 (E_RNA) where: Base-Base interactions energy: -10.968 where: short stacking energy: -10.968 Base-Backbone interact. energy: -0.000 local terms energy: -28.963164 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -3.495 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: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -36.482700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.482700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.482700 (E_RNA) where: Base-Base interactions energy: -7.735 where: short stacking energy: -7.735 Base-Backbone interact. energy: -0.026 local terms energy: -28.721017 where: bonds (distance) C4'-P energy: -6.443 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -40.801890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.801890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.801890 (E_RNA) where: Base-Base interactions energy: -12.703 where: short stacking energy: -12.703 Base-Backbone interact. energy: -0.000 local terms energy: -28.098978 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -5.757 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: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -40.736449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.736449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.736449 (E_RNA) where: Base-Base interactions energy: -8.877 where: short stacking energy: -8.877 Base-Backbone interact. energy: -0.073 local terms energy: -31.786341 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -5.835 tors. eta vs tors. theta energy: -3.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -31.109846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.109846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.109846 (E_RNA) where: Base-Base interactions energy: -6.974 where: short stacking energy: -6.086 Base-Backbone interact. energy: -0.045 local terms energy: -24.090041 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -5.365 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: 9, replica: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -37.607945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.607945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.607945 (E_RNA) where: Base-Base interactions energy: -12.645 where: short stacking energy: -13.245 Base-Backbone interact. energy: -0.051 local terms energy: -24.912251 where: bonds (distance) C4'-P energy: -2.721 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -5.975 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: 10, replica: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -28.469479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.469479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.469479 (E_RNA) where: Base-Base interactions energy: -10.110 where: short stacking energy: -10.110 Base-Backbone interact. energy: -0.001 local terms energy: -18.358601 where: bonds (distance) C4'-P energy: -6.207 bonds (distance) P-C4' energy: -4.307 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -3.154 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: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -49.631352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.631352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.631352 (E_RNA) where: Base-Base interactions energy: -15.670 where: short stacking energy: -14.672 Base-Backbone interact. energy: -0.034 local terms energy: -33.927380 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -6.412 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: 9 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -45.347202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.347202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.347202 (E_RNA) where: Base-Base interactions energy: -17.834 where: short stacking energy: -10.082 Base-Backbone interact. energy: -0.001 local terms energy: -27.511834 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -40.040219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.040219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.040219 (E_RNA) where: Base-Base interactions energy: -11.161 where: short stacking energy: -11.161 Base-Backbone interact. energy: -0.091 local terms energy: -28.788204 where: bonds (distance) C4'-P energy: -6.468 bonds (distance) P-C4' energy: -7.675 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -5.453 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: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -37.657010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.657010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.657010 (E_RNA) where: Base-Base interactions energy: -11.696 where: short stacking energy: -11.019 Base-Backbone interact. energy: -0.078 local terms energy: -25.883484 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -38.125997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.125997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.125997 (E_RNA) where: Base-Base interactions energy: -11.935 where: short stacking energy: -10.601 Base-Backbone interact. energy: 0.092 local terms energy: -26.283573 where: bonds (distance) C4'-P energy: -6.600 bonds (distance) P-C4' energy: -7.656 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -4.158 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: 6, replica: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -41.472039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.472039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.472039 (E_RNA) where: Base-Base interactions energy: -10.672 where: short stacking energy: -10.672 Base-Backbone interact. energy: -0.149 local terms energy: -30.651006 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -6.866 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -5.234 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: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -33.979857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.979857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.979857 (E_RNA) where: Base-Base interactions energy: -9.968 where: short stacking energy: -7.450 Base-Backbone interact. energy: -0.039 local terms energy: -23.972254 where: bonds (distance) C4'-P energy: -4.232 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -5.414 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: 8, replica: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -32.957088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.957088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.957088 (E_RNA) where: Base-Base interactions energy: -9.671 where: short stacking energy: -9.671 Base-Backbone interact. energy: -0.003 local terms energy: -23.283498 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -2.952 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: 4 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -30.895598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.895598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.895598 (E_RNA) where: Base-Base interactions energy: -5.548 where: short stacking energy: -6.121 Base-Backbone interact. energy: -0.066 local terms energy: -25.281011 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -3.871 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: 1 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -31.034386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.034386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.034386 (E_RNA) where: Base-Base interactions energy: -10.498 where: short stacking energy: -10.498 Base-Backbone interact. energy: -0.017 local terms energy: -20.520020 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -4.368 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -5.095 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: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -43.625412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.625412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.625412 (E_RNA) where: Base-Base interactions energy: -13.085 where: short stacking energy: -13.085 Base-Backbone interact. energy: -0.100 local terms energy: -30.440826 where: bonds (distance) C4'-P energy: -6.518 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -5.272 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: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -41.459860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.459860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.459860 (E_RNA) where: Base-Base interactions energy: -12.309 where: short stacking energy: -12.309 Base-Backbone interact. energy: -0.062 local terms energy: -29.088744 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -38.324588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.324588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.324588 (E_RNA) where: Base-Base interactions energy: -7.334 where: short stacking energy: -7.334 Base-Backbone interact. energy: -0.058 local terms energy: -30.932152 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -5.440 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: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -39.590310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.590310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.590310 (E_RNA) where: Base-Base interactions energy: -11.446 where: short stacking energy: -11.731 Base-Backbone interact. energy: -0.043 local terms energy: -28.101391 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -3.761 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: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -43.231766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.231766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.231766 (E_RNA) where: Base-Base interactions energy: -17.859 where: short stacking energy: -17.859 Base-Backbone interact. energy: -0.085 local terms energy: -25.287572 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -7.393 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -38.773097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.773097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.773097 (E_RNA) where: Base-Base interactions energy: -9.482 where: short stacking energy: -9.482 Base-Backbone interact. energy: -1.120 local terms energy: -28.171131 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -37.085223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.085223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.085223 (E_RNA) where: Base-Base interactions energy: -7.930 where: short stacking energy: -7.930 Base-Backbone interact. energy: -0.003 local terms energy: -29.151363 where: bonds (distance) C4'-P energy: -6.235 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -35.617802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.617802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.617802 (E_RNA) where: Base-Base interactions energy: -10.323 where: short stacking energy: -7.090 Base-Backbone interact. energy: -0.661 local terms energy: -24.634123 where: bonds (distance) C4'-P energy: -5.801 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -31.220958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.220958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.220958 (E_RNA) where: Base-Base interactions energy: -7.933 where: short stacking energy: -7.933 Base-Backbone interact. energy: -0.001 local terms energy: -23.287115 where: bonds (distance) C4'-P energy: -5.213 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -1.407 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -35.493227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.493227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.493227 (E_RNA) where: Base-Base interactions energy: -8.530 where: short stacking energy: -8.530 Base-Backbone interact. energy: -0.015 local terms energy: -26.948329 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -4.964 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -42.513584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.513584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.513584 (E_RNA) where: Base-Base interactions energy: -11.824 where: short stacking energy: -9.946 Base-Backbone interact. energy: 0.035 local terms energy: -30.724406 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -40.388083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.388083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.388083 (E_RNA) where: Base-Base interactions energy: -10.381 where: short stacking energy: -10.381 Base-Backbone interact. energy: -0.009 local terms energy: -29.998330 where: bonds (distance) C4'-P energy: -6.956 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -4.960 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: 3, replica: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -46.977245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.977245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.977245 (E_RNA) where: Base-Base interactions energy: -16.560 where: short stacking energy: -16.560 Base-Backbone interact. energy: -0.001 local terms energy: -30.416201 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -6.196 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: 5 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -38.950878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.950878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.950878 (E_RNA) where: Base-Base interactions energy: -11.628 where: short stacking energy: -11.628 Base-Backbone interact. energy: -0.000 local terms energy: -27.322393 where: bonds (distance) C4'-P energy: -4.709 bonds (distance) P-C4' energy: -6.150 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -4.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -39.494070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.494070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.494070 (E_RNA) where: Base-Base interactions energy: -11.816 where: short stacking energy: -10.076 Base-Backbone interact. energy: -0.005 local terms energy: -27.672952 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -6.399 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -40.877756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.877756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.877756 (E_RNA) where: Base-Base interactions energy: -15.576 where: short stacking energy: -15.576 Base-Backbone interact. energy: -0.023 local terms energy: -25.279523 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -32.180157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.180157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.180157 (E_RNA) where: Base-Base interactions energy: -6.250 where: short stacking energy: -6.250 Base-Backbone interact. energy: -0.035 local terms energy: -25.894597 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -32.549342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.549342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.549342 (E_RNA) where: Base-Base interactions energy: -7.234 where: short stacking energy: -7.234 Base-Backbone interact. energy: -0.023 local terms energy: -25.291675 where: bonds (distance) C4'-P energy: -6.236 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -0.822 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: 9, replica: 1 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -34.571420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.571420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.571420 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: 0.238 local terms energy: -26.863399 where: bonds (distance) C4'-P energy: -6.704 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -4.957 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: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -31.620765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.620765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.620765 (E_RNA) where: Base-Base interactions energy: -3.871 where: short stacking energy: -3.871 Base-Backbone interact. energy: -0.210 local terms energy: -27.540348 where: bonds (distance) C4'-P energy: -5.345 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -52.231955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.231955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.231955 (E_RNA) where: Base-Base interactions energy: -17.854 where: short stacking energy: -17.854 Base-Backbone interact. energy: -0.254 local terms energy: -34.123749 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -5.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -41.229678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.229678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.229678 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.091 local terms energy: -28.521666 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -5.113 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: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -37.617838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.617838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.617838 (E_RNA) where: Base-Base interactions energy: -10.007 where: short stacking energy: -10.007 Base-Backbone interact. energy: -0.006 local terms energy: -27.605131 where: bonds (distance) C4'-P energy: -6.190 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -5.693 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: 4, replica: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -36.570824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.570824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.570824 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -7.212 Base-Backbone interact. energy: -0.053 local terms energy: -29.305765 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -5.073 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: 5, replica: 5 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -39.852190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.852190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.852190 (E_RNA) where: Base-Base interactions energy: -7.835 where: short stacking energy: -7.835 Base-Backbone interact. energy: -0.000 local terms energy: -32.016918 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -6.190 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: 6, replica: 4 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -44.057057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.057057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.057057 (E_RNA) where: Base-Base interactions energy: -13.168 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.001 local terms energy: -30.888190 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -4.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -35.415344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.415344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.415344 (E_RNA) where: Base-Base interactions energy: -9.817 where: short stacking energy: -9.817 Base-Backbone interact. energy: -0.003 local terms energy: -25.594883 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -2.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -39.869561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.869561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.869561 (E_RNA) where: Base-Base interactions energy: -13.525 where: short stacking energy: -13.525 Base-Backbone interact. energy: -0.096 local terms energy: -26.249148 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -0.362 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: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -32.325696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.325696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.325696 (E_RNA) where: Base-Base interactions energy: -5.887 where: short stacking energy: -5.887 Base-Backbone interact. energy: -0.992 local terms energy: -25.446442 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -4.733 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: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -32.060935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.060935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.060935 (E_RNA) where: Base-Base interactions energy: -4.349 where: short stacking energy: -4.349 Base-Backbone interact. energy: -0.002 local terms energy: -27.709599 where: bonds (distance) C4'-P energy: -6.422 bonds (distance) P-C4' energy: -7.454 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -44.264049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.264049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.264049 (E_RNA) where: Base-Base interactions energy: -12.589 where: short stacking energy: -12.589 Base-Backbone interact. energy: -0.002 local terms energy: -31.673506 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -5.415 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: 2, replica: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -46.300372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.300372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.300372 (E_RNA) where: Base-Base interactions energy: -14.087 where: short stacking energy: -14.087 Base-Backbone interact. energy: -0.000 local terms energy: -32.213831 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -6.612 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: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -41.535784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.535784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.535784 (E_RNA) where: Base-Base interactions energy: -11.525 where: short stacking energy: -11.525 Base-Backbone interact. energy: -0.044 local terms energy: -29.967041 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -48.045749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.045749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.045749 (E_RNA) where: Base-Base interactions energy: -15.856 where: short stacking energy: -15.856 Base-Backbone interact. energy: -0.000 local terms energy: -32.189982 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -6.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -36.947288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.947288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.947288 (E_RNA) where: Base-Base interactions energy: -8.362 where: short stacking energy: -8.362 Base-Backbone interact. energy: -0.099 local terms energy: -28.486056 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -35.671337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.671337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.671337 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -6.867 Base-Backbone interact. energy: -0.000 local terms energy: -28.803771 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -2.974 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: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -35.597306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.597306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.597306 (E_RNA) where: Base-Base interactions energy: -9.881 where: short stacking energy: -9.881 Base-Backbone interact. energy: -0.003 local terms energy: -25.713080 where: bonds (distance) C4'-P energy: -6.298 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -1.328 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -7.328 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: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -38.450875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.450875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.450875 (E_RNA) where: Base-Base interactions energy: -14.532 where: short stacking energy: -14.532 Base-Backbone interact. energy: -0.100 local terms energy: -23.818941 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -1.429 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: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -32.625362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.625362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.625362 (E_RNA) where: Base-Base interactions energy: -9.594 where: short stacking energy: -9.594 Base-Backbone interact. energy: -0.001 local terms energy: -23.031222 where: bonds (distance) C4'-P energy: -4.046 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -4.420 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: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -32.126967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.126967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.126967 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -6.687 Base-Backbone interact. energy: -0.001 local terms energy: -25.438189 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -0.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -47.238659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.238659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.238659 (E_RNA) where: Base-Base interactions energy: -13.679 where: short stacking energy: -13.679 Base-Backbone interact. energy: -0.133 local terms energy: -33.426229 where: bonds (distance) C4'-P energy: -7.610 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -3.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -43.464812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.464812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.464812 (E_RNA) where: Base-Base interactions energy: -13.054 where: short stacking energy: -13.054 Base-Backbone interact. energy: -0.000 local terms energy: -30.411250 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -2.395 tors. eta vs tors. theta energy: -5.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -39.429000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.429000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.429000 (E_RNA) where: Base-Base interactions energy: -11.613 where: short stacking energy: -11.613 Base-Backbone interact. energy: -0.028 local terms energy: -27.787755 where: bonds (distance) C4'-P energy: -5.043 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -5.904 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: 4, replica: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -44.375018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.375018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.375018 (E_RNA) where: Base-Base interactions energy: -13.997 where: short stacking energy: -13.318 Base-Backbone interact. energy: -0.042 local terms energy: -30.335439 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -38.480107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.480107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.480107 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.003 local terms energy: -28.943180 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -31.972433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.972433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.972433 (E_RNA) where: Base-Base interactions energy: -9.393 where: short stacking energy: -8.337 Base-Backbone interact. energy: -0.097 local terms energy: -22.482715 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -2.958 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -3.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -37.458408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.458408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.458408 (E_RNA) where: Base-Base interactions energy: -11.571 where: short stacking energy: -11.571 Base-Backbone interact. energy: -0.027 local terms energy: -25.860865 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -1.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -30.299436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.299436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.299436 (E_RNA) where: Base-Base interactions energy: -6.825 where: short stacking energy: -6.825 Base-Backbone interact. energy: -0.000 local terms energy: -23.473952 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: 0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -33.767333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.767333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.767333 (E_RNA) where: Base-Base interactions energy: -4.466 where: short stacking energy: -4.466 Base-Backbone interact. energy: -1.442 local terms energy: -27.859184 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -30.929256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.929256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.929256 (E_RNA) where: Base-Base interactions energy: -5.604 where: short stacking energy: -5.604 Base-Backbone interact. energy: -0.294 local terms energy: -25.031251 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: 2.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -38.577403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.577403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.577403 (E_RNA) where: Base-Base interactions energy: -8.293 where: short stacking energy: -8.293 Base-Backbone interact. energy: -0.190 local terms energy: -30.094497 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -5.660 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: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -45.453343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.453343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.453343 (E_RNA) where: Base-Base interactions energy: -12.834 where: short stacking energy: -12.834 Base-Backbone interact. energy: 0.098 local terms energy: -32.717468 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -5.456 tors. eta vs tors. theta energy: -5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -37.651600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.651600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.651600 (E_RNA) where: Base-Base interactions energy: -9.858 where: short stacking energy: -9.858 Base-Backbone interact. energy: -0.005 local terms energy: -27.788785 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -6.074 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -39.410194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.410194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.410194 (E_RNA) where: Base-Base interactions energy: -14.846 where: short stacking energy: -14.846 Base-Backbone interact. energy: -0.083 local terms energy: -24.480853 where: bonds (distance) C4'-P energy: -6.223 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -45.278194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.278194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.278194 (E_RNA) where: Base-Base interactions energy: -18.438 where: short stacking energy: -17.341 Base-Backbone interact. energy: -0.073 local terms energy: -26.767447 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -2.429 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: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -42.206874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.206874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.206874 (E_RNA) where: Base-Base interactions energy: -17.901 where: short stacking energy: -17.901 Base-Backbone interact. energy: -0.002 local terms energy: -24.303663 where: bonds (distance) C4'-P energy: -0.858 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -4.931 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: 7, replica: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -38.553459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.553459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.553459 (E_RNA) where: Base-Base interactions energy: -12.592 where: short stacking energy: -12.592 Base-Backbone interact. energy: -0.007 local terms energy: -25.954434 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -6.542 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: 8, replica: 5 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -35.499498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.499498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.499498 (E_RNA) where: Base-Base interactions energy: -10.137 where: short stacking energy: -10.137 Base-Backbone interact. energy: -0.027 local terms energy: -25.335573 where: bonds (distance) C4'-P energy: -4.323 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -5.413 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: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -30.823629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.823629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.823629 (E_RNA) where: Base-Base interactions energy: -7.139 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.046 local terms energy: -23.638184 where: bonds (distance) C4'-P energy: -6.352 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -34.007040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.007040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.007040 (E_RNA) where: Base-Base interactions energy: -5.381 where: short stacking energy: -5.381 Base-Backbone interact. energy: -0.078 local terms energy: -28.547299 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -39.268782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.268782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.268782 (E_RNA) where: Base-Base interactions energy: -10.779 where: short stacking energy: -10.779 Base-Backbone interact. energy: -0.000 local terms energy: -28.489657 where: bonds (distance) C4'-P energy: -5.392 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -41.768798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.768798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.768798 (E_RNA) where: Base-Base interactions energy: -10.942 where: short stacking energy: -10.942 Base-Backbone interact. energy: -0.002 local terms energy: -30.825567 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -43.039771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.039771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.039771 (E_RNA) where: Base-Base interactions energy: -13.014 where: short stacking energy: -11.972 Base-Backbone interact. energy: -1.053 local terms energy: -28.972766 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -42.484002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.484002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.484002 (E_RNA) where: Base-Base interactions energy: -9.819 where: short stacking energy: -9.819 Base-Backbone interact. energy: -0.004 local terms energy: -32.661447 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -5.216 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: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -33.460654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.460654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.460654 (E_RNA) where: Base-Base interactions energy: -6.991 where: short stacking energy: -7.348 Base-Backbone interact. energy: 0.323 local terms energy: -26.792480 where: bonds (distance) C4'-P energy: -6.820 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -41.670674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.670674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.670674 (E_RNA) where: Base-Base interactions energy: -13.108 where: short stacking energy: -13.108 Base-Backbone interact. energy: 0.102 local terms energy: -28.664419 where: bonds (distance) C4'-P energy: -3.885 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -32.917597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.917597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.917597 (E_RNA) where: Base-Base interactions energy: -9.772 where: short stacking energy: -9.772 Base-Backbone interact. energy: 0.059 local terms energy: -23.204294 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -33.151479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.151479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.151479 (E_RNA) where: Base-Base interactions energy: -9.468 where: short stacking energy: -8.537 Base-Backbone interact. energy: -0.048 local terms energy: -23.635442 where: bonds (distance) C4'-P energy: -6.923 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: 0.125 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: 9, replica: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -31.521570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.521570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.521570 (E_RNA) where: Base-Base interactions energy: -7.016 where: short stacking energy: -7.016 Base-Backbone interact. energy: -0.005 local terms energy: -24.500351 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.245 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: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -30.729985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.729985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.729985 (E_RNA) where: Base-Base interactions energy: -8.004 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.068 local terms energy: -22.658254 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -4.451 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -3.055 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: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -45.200237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.200237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.200237 (E_RNA) where: Base-Base interactions energy: -16.346 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.127 local terms energy: -28.727433 where: bonds (distance) C4'-P energy: -7.337 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -3.748 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: 2, replica: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -41.973226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.973226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.973226 (E_RNA) where: Base-Base interactions energy: -14.119 where: short stacking energy: -14.119 Base-Backbone interact. energy: -0.180 local terms energy: -27.674989 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.178 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -43.442378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.442378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.442378 (E_RNA) where: Base-Base interactions energy: -13.514 where: short stacking energy: -13.514 Base-Backbone interact. energy: -0.012 local terms energy: -29.916432 where: bonds (distance) C4'-P energy: -7.237 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -4.869 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: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -37.564717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.564717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.564717 (E_RNA) where: Base-Base interactions energy: -10.844 where: short stacking energy: -10.844 Base-Backbone interact. energy: -0.036 local terms energy: -26.684274 where: bonds (distance) C4'-P energy: -3.284 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -36.728527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.728527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.728527 (E_RNA) where: Base-Base interactions energy: -9.904 where: short stacking energy: -9.904 Base-Backbone interact. energy: 0.926 local terms energy: -27.750922 where: bonds (distance) C4'-P energy: -6.045 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -32.782420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.782420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.782420 (E_RNA) where: Base-Base interactions energy: -9.722 where: short stacking energy: -8.367 Base-Backbone interact. energy: -0.436 local terms energy: -22.624467 where: bonds (distance) C4'-P energy: -1.040 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -35.737441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.737441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.737441 (E_RNA) where: Base-Base interactions energy: -7.987 where: short stacking energy: -7.987 Base-Backbone interact. energy: -0.005 local terms energy: -27.745935 where: bonds (distance) C4'-P energy: -6.600 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -1.886 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -33.734033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.734033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.734033 (E_RNA) where: Base-Base interactions energy: -5.529 where: short stacking energy: -5.617 Base-Backbone interact. energy: -0.182 local terms energy: -28.022967 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -7.976 flat angles P-C4'-P energy: -2.038 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -29.372995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.372995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.372995 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.011 local terms energy: -21.228673 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -5.660 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -29.633607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.633607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.633607 (E_RNA) where: Base-Base interactions energy: -6.004 where: short stacking energy: -6.004 Base-Backbone interact. energy: -0.016 local terms energy: -23.613153 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -3.547 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: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -51.797972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.797972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.797972 (E_RNA) where: Base-Base interactions energy: -20.223 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.058 local terms energy: -31.516754 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -6.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -48.523700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.523700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.523700 (E_RNA) where: Base-Base interactions energy: -19.207 where: short stacking energy: -19.207 Base-Backbone interact. energy: -0.000 local terms energy: -29.316303 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -6.294 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: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -41.483421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.483421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.483421 (E_RNA) where: Base-Base interactions energy: -11.240 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.043 local terms energy: -30.200011 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -5.144 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: 4, replica: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -39.320049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.320049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.320049 (E_RNA) where: Base-Base interactions energy: -12.171 where: short stacking energy: -10.247 Base-Backbone interact. energy: -0.029 local terms energy: -27.119969 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -36.170546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.170546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.170546 (E_RNA) where: Base-Base interactions energy: -9.009 where: short stacking energy: -9.009 Base-Backbone interact. energy: -0.051 local terms energy: -27.110301 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -38.010228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.010228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.010228 (E_RNA) where: Base-Base interactions energy: -9.993 where: short stacking energy: -9.993 Base-Backbone interact. energy: -0.002 local terms energy: -28.014573 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -6.476 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: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -34.457703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.457703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.457703 (E_RNA) where: Base-Base interactions energy: -11.626 where: short stacking energy: -11.626 Base-Backbone interact. energy: -0.117 local terms energy: -22.715136 where: bonds (distance) C4'-P energy: -6.153 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -0.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -30.557738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.557738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.557738 (E_RNA) where: Base-Base interactions energy: -5.102 where: short stacking energy: -5.102 Base-Backbone interact. energy: -0.086 local terms energy: -25.369899 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -35.257480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.257480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.257480 (E_RNA) where: Base-Base interactions energy: -10.729 where: short stacking energy: -10.729 Base-Backbone interact. energy: -0.064 local terms energy: -24.464122 where: bonds (distance) C4'-P energy: -7.188 bonds (distance) P-C4' energy: -5.061 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -30.315162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.315162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.315162 (E_RNA) where: Base-Base interactions energy: -9.086 where: short stacking energy: -9.187 Base-Backbone interact. energy: -0.234 local terms energy: -20.995675 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -0.005 flat angles P-C4'-P energy: -3.322 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: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -38.208272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.208272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.208272 (E_RNA) where: Base-Base interactions energy: -10.838 where: short stacking energy: -10.838 Base-Backbone interact. energy: -0.070 local terms energy: -27.300829 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -4.977 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: 2, replica: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -38.399449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.399449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.399449 (E_RNA) where: Base-Base interactions energy: -8.830 where: short stacking energy: -6.416 Base-Backbone interact. energy: -0.135 local terms energy: -29.434203 where: bonds (distance) C4'-P energy: -6.890 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -5.977 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: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -43.105711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.105711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.105711 (E_RNA) where: Base-Base interactions energy: -11.224 where: short stacking energy: -11.224 Base-Backbone interact. energy: -0.006 local terms energy: -31.875814 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -4.415 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: 4, replica: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -39.678343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.678343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.678343 (E_RNA) where: Base-Base interactions energy: -16.598 where: short stacking energy: -15.419 Base-Backbone interact. energy: -0.087 local terms energy: -22.993658 where: bonds (distance) C4'-P energy: -4.398 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -0.652 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: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -40.102132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.102132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.102132 (E_RNA) where: Base-Base interactions energy: -13.267 where: short stacking energy: -12.277 Base-Backbone interact. energy: -0.068 local terms energy: -26.766913 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -4.636 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -4.914 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: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -43.346070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.346070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.346070 (E_RNA) where: Base-Base interactions energy: -12.247 where: short stacking energy: -11.734 Base-Backbone interact. energy: -1.427 local terms energy: -29.672548 where: bonds (distance) C4'-P energy: -5.846 bonds (distance) P-C4' energy: -7.217 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -36.300561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.300561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.300561 (E_RNA) where: Base-Base interactions energy: -8.259 where: short stacking energy: -8.259 Base-Backbone interact. energy: -0.044 local terms energy: -27.997672 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -4.337 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: 52 Temperature: 1.250000 Total energy: -40.115371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.115371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.115371 (E_RNA) where: Base-Base interactions energy: -13.811 where: short stacking energy: -13.811 Base-Backbone interact. energy: -0.002 local terms energy: -26.301827 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -7.050 flat angles C4'-P-C4' energy: -8.311 flat angles P-C4'-P energy: -1.743 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: 52 Temperature: 1.300000 Total energy: -32.812729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.812729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.812729 (E_RNA) where: Base-Base interactions energy: -6.413 where: short stacking energy: -5.427 Base-Backbone interact. energy: -0.005 local terms energy: -26.394852 where: bonds (distance) C4'-P energy: -3.954 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -6.818 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -28.421865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.421865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.421865 (E_RNA) where: Base-Base interactions energy: -4.570 where: short stacking energy: -3.988 Base-Backbone interact. energy: -0.975 local terms energy: -22.876812 where: bonds (distance) C4'-P energy: -6.290 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -5.274 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: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -42.272261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.272261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.272261 (E_RNA) where: Base-Base interactions energy: -12.710 where: short stacking energy: -12.150 Base-Backbone interact. energy: -0.017 local terms energy: -29.545855 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -47.737316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.737316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.737316 (E_RNA) where: Base-Base interactions energy: -16.182 where: short stacking energy: -16.182 Base-Backbone interact. energy: -0.002 local terms energy: -31.553194 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -2.397 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -40.843542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.843542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.843542 (E_RNA) where: Base-Base interactions energy: -17.459 where: short stacking energy: -17.459 Base-Backbone interact. energy: -0.000 local terms energy: -23.384932 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -1.899 flat angles P-C4'-P energy: -3.223 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: 4, replica: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -37.394538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.394538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.394538 (E_RNA) where: Base-Base interactions energy: -8.959 where: short stacking energy: -8.959 Base-Backbone interact. energy: -0.063 local terms energy: -28.372698 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -3.612 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -38.087377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.087377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.087377 (E_RNA) where: Base-Base interactions energy: -9.739 where: short stacking energy: -9.739 Base-Backbone interact. energy: -0.205 local terms energy: -28.144051 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -36.604070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.604070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.604070 (E_RNA) where: Base-Base interactions energy: -9.516 where: short stacking energy: -9.516 Base-Backbone interact. energy: -0.002 local terms energy: -27.085177 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -4.227 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: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -34.103511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.103511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.103511 (E_RNA) where: Base-Base interactions energy: -7.862 where: short stacking energy: -7.862 Base-Backbone interact. energy: -0.033 local terms energy: -26.208144 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: 0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -35.032122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.032122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.032122 (E_RNA) where: Base-Base interactions energy: -9.682 where: short stacking energy: -9.682 Base-Backbone interact. energy: -0.024 local terms energy: -25.326707 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.594 flat angles P-C4'-P energy: -2.035 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: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -30.379616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.379616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.379616 (E_RNA) where: Base-Base interactions energy: -4.493 where: short stacking energy: -4.274 Base-Backbone interact. energy: -0.042 local terms energy: -25.845141 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.132 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: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -32.575310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.575310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.575310 (E_RNA) where: Base-Base interactions energy: -6.651 where: short stacking energy: -6.651 Base-Backbone interact. energy: -0.004 local terms energy: -25.920711 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -41.306767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.306767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.306767 (E_RNA) where: Base-Base interactions energy: -9.725 where: short stacking energy: -9.725 Base-Backbone interact. energy: -0.112 local terms energy: -31.469645 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -41.438205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.438205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.438205 (E_RNA) where: Base-Base interactions energy: -14.603 where: short stacking energy: -14.603 Base-Backbone interact. energy: -0.114 local terms energy: -26.720877 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -4.168 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: 3, replica: 8 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -39.254150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.254150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.254150 (E_RNA) where: Base-Base interactions energy: -9.530 where: short stacking energy: -9.530 Base-Backbone interact. energy: -0.212 local terms energy: -29.511648 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -4.093 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: 4, replica: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -38.836011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.836011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.836011 (E_RNA) where: Base-Base interactions energy: -11.493 where: short stacking energy: -11.493 Base-Backbone interact. energy: -0.006 local terms energy: -27.337126 where: bonds (distance) C4'-P energy: -5.660 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -40.553359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.553359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.553359 (E_RNA) where: Base-Base interactions energy: -14.973 where: short stacking energy: -14.973 Base-Backbone interact. energy: -0.000 local terms energy: -25.580577 where: bonds (distance) C4'-P energy: -2.593 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -7.890 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -38.448518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.448518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.448518 (E_RNA) where: Base-Base interactions energy: -9.018 where: short stacking energy: -9.018 Base-Backbone interact. energy: -0.000 local terms energy: -29.430565 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.439 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -2.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -30.169139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.169139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.169139 (E_RNA) where: Base-Base interactions energy: -6.140 where: short stacking energy: -6.140 Base-Backbone interact. energy: -0.195 local terms energy: -23.834692 where: bonds (distance) C4'-P energy: -6.182 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -5.626 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: 8, replica: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -31.755570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.755570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.755570 (E_RNA) where: Base-Base interactions energy: -5.352 where: short stacking energy: -5.352 Base-Backbone interact. energy: -0.004 local terms energy: -26.399935 where: bonds (distance) C4'-P energy: -6.066 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -38.746885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.746885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.746885 (E_RNA) where: Base-Base interactions energy: -11.549 where: short stacking energy: -11.549 Base-Backbone interact. energy: -0.001 local terms energy: -27.196704 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -6.822 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -1.802 tors. eta vs tors. theta energy: -5.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -33.516676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.516676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.516676 (E_RNA) where: Base-Base interactions energy: -7.760 where: short stacking energy: -7.760 Base-Backbone interact. energy: -0.086 local terms energy: -25.670443 where: bonds (distance) C4'-P energy: -5.677 bonds (distance) P-C4' energy: -7.221 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -6.029 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: 55 Temperature: 0.900000 Total energy: -42.027473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.027473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.027473 (E_RNA) where: Base-Base interactions energy: -11.477 where: short stacking energy: -11.477 Base-Backbone interact. energy: 0.572 local terms energy: -31.122452 where: bonds (distance) C4'-P energy: -6.252 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -41.987062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.987062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.987062 (E_RNA) where: Base-Base interactions energy: -12.833 where: short stacking energy: -12.833 Base-Backbone interact. energy: -0.017 local terms energy: -29.137613 where: bonds (distance) C4'-P energy: -6.041 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -41.348461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.348461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.348461 (E_RNA) where: Base-Base interactions energy: -13.224 where: short stacking energy: -13.224 Base-Backbone interact. energy: -0.000 local terms energy: -28.124690 where: bonds (distance) C4'-P energy: -6.298 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -38.884876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.884876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.884876 (E_RNA) where: Base-Base interactions energy: -12.937 where: short stacking energy: -12.937 Base-Backbone interact. energy: -0.033 local terms energy: -25.915072 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -7.221 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -4.821 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: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -38.811620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.811620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.811620 (E_RNA) where: Base-Base interactions energy: -11.997 where: short stacking energy: -11.997 Base-Backbone interact. energy: -0.000 local terms energy: -26.814191 where: bonds (distance) C4'-P energy: -6.563 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -6.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -33.863576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.863576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.863576 (E_RNA) where: Base-Base interactions energy: -9.270 where: short stacking energy: -9.270 Base-Backbone interact. energy: 0.602 local terms energy: -25.195980 where: bonds (distance) C4'-P energy: -5.577 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -4.858 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: 7, replica: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -38.392049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.392049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.392049 (E_RNA) where: Base-Base interactions energy: -14.695 where: short stacking energy: -14.695 Base-Backbone interact. energy: -0.048 local terms energy: -23.648829 where: bonds (distance) C4'-P energy: -3.483 bonds (distance) P-C4' energy: -6.449 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -34.555237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.555237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.555237 (E_RNA) where: Base-Base interactions energy: -12.709 where: short stacking energy: -12.709 Base-Backbone interact. energy: -0.003 local terms energy: -21.843440 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -2.618 flat angles P-C4'-P energy: -4.410 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: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -33.835332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.835332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.835332 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.011 local terms energy: -26.259626 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -36.229601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.229601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.229601 (E_RNA) where: Base-Base interactions energy: -7.175 where: short stacking energy: -7.175 Base-Backbone interact. energy: -0.434 local terms energy: -28.620530 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -5.776 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -4.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -41.436462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.436462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.436462 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -11.819 Base-Backbone interact. energy: -0.019 local terms energy: -29.216310 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -44.780007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.780007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.780007 (E_RNA) where: Base-Base interactions energy: -14.551 where: short stacking energy: -12.115 Base-Backbone interact. energy: -0.009 local terms energy: -30.219142 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -6.599 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: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -38.197927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.197927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.197927 (E_RNA) where: Base-Base interactions energy: -12.390 where: short stacking energy: -12.890 Base-Backbone interact. energy: -0.060 local terms energy: -25.748660 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -0.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -41.431910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.431910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.431910 (E_RNA) where: Base-Base interactions energy: -14.292 where: short stacking energy: -14.292 Base-Backbone interact. energy: -0.445 local terms energy: -26.694505 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -39.782493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.782493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.782493 (E_RNA) where: Base-Base interactions energy: -13.289 where: short stacking energy: -13.289 Base-Backbone interact. energy: -0.013 local terms energy: -26.481002 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -6.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -35.272379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.272379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.272379 (E_RNA) where: Base-Base interactions energy: -8.947 where: short stacking energy: -7.846 Base-Backbone interact. energy: -0.102 local terms energy: -26.222940 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -4.713 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: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -33.297291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.297291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.297291 (E_RNA) where: Base-Base interactions energy: -5.179 where: short stacking energy: -5.179 Base-Backbone interact. energy: -0.083 local terms energy: -28.034687 where: bonds (distance) C4'-P energy: -5.656 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -7.923 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -0.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -36.314718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.314718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.314718 (E_RNA) where: Base-Base interactions energy: -7.052 where: short stacking energy: -7.052 Base-Backbone interact. energy: -0.030 local terms energy: -29.232125 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -6.381 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: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -29.004156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.004156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.004156 (E_RNA) where: Base-Base interactions energy: -4.523 where: short stacking energy: -4.523 Base-Backbone interact. energy: -0.001 local terms energy: -24.480417 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -5.340 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -27.879415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.879415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.879415 (E_RNA) where: Base-Base interactions energy: -6.477 where: short stacking energy: -6.477 Base-Backbone interact. energy: -0.104 local terms energy: -21.297637 where: bonds (distance) C4'-P energy: -4.754 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -0.989 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: 1, replica: 8 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -39.787001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.787001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.787001 (E_RNA) where: Base-Base interactions energy: -11.216 where: short stacking energy: -11.216 Base-Backbone interact. energy: -0.102 local terms energy: -28.469506 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -6.151 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: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -46.910867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.910867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.910867 (E_RNA) where: Base-Base interactions energy: -14.538 where: short stacking energy: -14.538 Base-Backbone interact. energy: -0.000 local terms energy: -32.372971 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -6.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -35.336132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.336132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.336132 (E_RNA) where: Base-Base interactions energy: -12.014 where: short stacking energy: -12.014 Base-Backbone interact. energy: -0.006 local terms energy: -23.316289 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.675 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -3.199 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: 4, replica: 2 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -36.974090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.974090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.974090 (E_RNA) where: Base-Base interactions energy: -12.052 where: short stacking energy: -9.415 Base-Backbone interact. energy: -0.059 local terms energy: -24.862745 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -2.282 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: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -35.166135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.166135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.166135 (E_RNA) where: Base-Base interactions energy: -9.387 where: short stacking energy: -9.387 Base-Backbone interact. energy: -0.021 local terms energy: -25.757368 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -4.078 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: 6, replica: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -39.767519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.767519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.767519 (E_RNA) where: Base-Base interactions energy: -10.527 where: short stacking energy: -10.527 Base-Backbone interact. energy: -0.074 local terms energy: -29.167044 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -5.917 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: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -38.064076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.064076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.064076 (E_RNA) where: Base-Base interactions energy: -13.690 where: short stacking energy: -13.690 Base-Backbone interact. energy: -0.018 local terms energy: -24.355783 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.862 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: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -31.323220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.323220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.323220 (E_RNA) where: Base-Base interactions energy: -6.314 where: short stacking energy: -6.314 Base-Backbone interact. energy: -0.004 local terms energy: -25.005076 where: bonds (distance) C4'-P energy: -7.809 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -5.992 tors. eta vs tors. theta energy: 0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -30.153399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.153399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.153399 (E_RNA) where: Base-Base interactions energy: -5.892 where: short stacking energy: -5.892 Base-Backbone interact. energy: -0.005 local terms energy: -24.256397 where: bonds (distance) C4'-P energy: -5.516 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -2.408 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -30.321148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.321148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.321148 (E_RNA) where: Base-Base interactions energy: -6.308 where: short stacking energy: -6.308 Base-Backbone interact. energy: -0.681 local terms energy: -23.332320 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -4.733 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: 1, replica: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -44.831059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.831059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.831059 (E_RNA) where: Base-Base interactions energy: -11.969 where: short stacking energy: -11.969 Base-Backbone interact. energy: -0.052 local terms energy: -32.809380 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -4.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -38.947290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.947290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.947290 (E_RNA) where: Base-Base interactions energy: -9.852 where: short stacking energy: -9.852 Base-Backbone interact. energy: -0.075 local terms energy: -29.020081 where: bonds (distance) C4'-P energy: -6.704 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -5.910 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: 3, replica: 2 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -36.784033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.784033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.784033 (E_RNA) where: Base-Base interactions energy: -7.545 where: short stacking energy: -7.545 Base-Backbone interact. energy: -0.193 local terms energy: -29.045616 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -6.383 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: 4, replica: 9 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -36.684654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.684654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.684654 (E_RNA) where: Base-Base interactions energy: -8.823 where: short stacking energy: -8.041 Base-Backbone interact. energy: -0.110 local terms energy: -27.751563 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -41.267491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.267491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.267491 (E_RNA) where: Base-Base interactions energy: -11.007 where: short stacking energy: -11.007 Base-Backbone interact. energy: -0.000 local terms energy: -30.260278 where: bonds (distance) C4'-P energy: -4.050 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -7.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -33.796583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.796583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.796583 (E_RNA) where: Base-Base interactions energy: -7.781 where: short stacking energy: -7.781 Base-Backbone interact. energy: 0.072 local terms energy: -26.087617 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: 0.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -34.385570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.385570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.385570 (E_RNA) where: Base-Base interactions energy: -5.750 where: short stacking energy: -5.750 Base-Backbone interact. energy: -0.006 local terms energy: -28.629239 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -36.268822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.268822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.268822 (E_RNA) where: Base-Base interactions energy: -8.175 where: short stacking energy: -8.175 Base-Backbone interact. energy: -0.074 local terms energy: -28.019775 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -34.330360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.330360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.330360 (E_RNA) where: Base-Base interactions energy: -12.176 where: short stacking energy: -12.176 Base-Backbone interact. energy: -0.012 local terms energy: -22.142051 where: bonds (distance) C4'-P energy: -3.172 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -32.865453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.865453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.865453 (E_RNA) where: Base-Base interactions energy: -8.184 where: short stacking energy: -8.184 Base-Backbone interact. energy: -0.000 local terms energy: -24.681335 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -2.871 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -42.956334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.956334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.956334 (E_RNA) where: Base-Base interactions energy: -13.998 where: short stacking energy: -13.998 Base-Backbone interact. energy: -0.048 local terms energy: -28.910697 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -6.607 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.699 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: 2, replica: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -35.244901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.244901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.244901 (E_RNA) where: Base-Base interactions energy: -10.685 where: short stacking energy: -10.685 Base-Backbone interact. energy: -0.100 local terms energy: -24.459315 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -36.101391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.101391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.101391 (E_RNA) where: Base-Base interactions energy: -8.010 where: short stacking energy: -8.010 Base-Backbone interact. energy: -0.216 local terms energy: -27.875096 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.754 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -39.328016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.328016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.328016 (E_RNA) where: Base-Base interactions energy: -10.389 where: short stacking energy: -10.389 Base-Backbone interact. energy: -0.001 local terms energy: -28.937407 where: bonds (distance) C4'-P energy: -6.988 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -5.254 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: 5, replica: 9 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -34.075605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.075605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.075605 (E_RNA) where: Base-Base interactions energy: -9.362 where: short stacking energy: -9.662 Base-Backbone interact. energy: -0.003 local terms energy: -24.709783 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.542 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: 6, replica: 10 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -34.212666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.212666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.212666 (E_RNA) where: Base-Base interactions energy: -6.680 where: short stacking energy: -6.680 Base-Backbone interact. energy: -0.100 local terms energy: -27.432622 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -2.654 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: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -32.736962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.736962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.736962 (E_RNA) where: Base-Base interactions energy: -8.286 where: short stacking energy: -8.286 Base-Backbone interact. energy: -0.024 local terms energy: -24.426757 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: 1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -31.779324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.779324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.779324 (E_RNA) where: Base-Base interactions energy: -7.461 where: short stacking energy: -7.461 Base-Backbone interact. energy: -0.092 local terms energy: -24.226609 where: bonds (distance) C4'-P energy: -4.824 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -36.656121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.656121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.656121 (E_RNA) where: Base-Base interactions energy: -10.285 where: short stacking energy: -10.285 Base-Backbone interact. energy: -0.000 local terms energy: -26.370828 where: bonds (distance) C4'-P energy: -5.197 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -4.752 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: 10, replica: 7 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -34.126361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.126361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.126361 (E_RNA) where: Base-Base interactions energy: -9.527 where: short stacking energy: -9.527 Base-Backbone interact. energy: -0.001 local terms energy: -24.598059 where: bonds (distance) C4'-P energy: -5.375 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -2.395 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: 1, replica: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -38.724850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.724850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.724850 (E_RNA) where: Base-Base interactions energy: -7.402 where: short stacking energy: -6.178 Base-Backbone interact. energy: -0.295 local terms energy: -31.027848 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -45.474170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.474170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.474170 (E_RNA) where: Base-Base interactions energy: -14.704 where: short stacking energy: -14.704 Base-Backbone interact. energy: -0.099 local terms energy: -30.671750 where: bonds (distance) C4'-P energy: -6.928 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -3.771 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: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -40.105268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.105268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.105268 (E_RNA) where: Base-Base interactions energy: -9.512 where: short stacking energy: -9.512 Base-Backbone interact. energy: -0.036 local terms energy: -30.557593 where: bonds (distance) C4'-P energy: -7.966 bonds (distance) P-C4' energy: -6.932 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -38.073352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.073352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.073352 (E_RNA) where: Base-Base interactions energy: -9.599 where: short stacking energy: -9.599 Base-Backbone interact. energy: -0.096 local terms energy: -28.378112 where: bonds (distance) C4'-P energy: -5.751 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.498 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: 5, replica: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -39.743233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.743233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.743233 (E_RNA) where: Base-Base interactions energy: -13.883 where: short stacking energy: -13.883 Base-Backbone interact. energy: -0.000 local terms energy: -25.859722 where: bonds (distance) C4'-P energy: -6.409 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -2.627 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: 6, replica: 9 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -43.020373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.020373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.020373 (E_RNA) where: Base-Base interactions energy: -13.543 where: short stacking energy: -13.311 Base-Backbone interact. energy: -0.123 local terms energy: -29.354570 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -5.607 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: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -36.719072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.719072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.719072 (E_RNA) where: Base-Base interactions energy: -11.465 where: short stacking energy: -11.465 Base-Backbone interact. energy: -0.000 local terms energy: -25.253343 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -2.464 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -36.422317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.422317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.422317 (E_RNA) where: Base-Base interactions energy: -10.758 where: short stacking energy: -9.651 Base-Backbone interact. energy: 1.407 local terms energy: -27.071374 where: bonds (distance) C4'-P energy: -6.791 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -0.737 flat angles P-C4'-P energy: -4.671 tors. eta vs tors. theta energy: -6.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -32.458957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.458957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.458957 (E_RNA) where: Base-Base interactions energy: -10.445 where: short stacking energy: -10.445 Base-Backbone interact. energy: -0.010 local terms energy: -22.004010 where: bonds (distance) C4'-P energy: -3.900 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -4.439 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: 10, replica: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -31.165553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.165553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.165553 (E_RNA) where: Base-Base interactions energy: -9.475 where: short stacking energy: -9.475 Base-Backbone interact. energy: -0.046 local terms energy: -21.644558 where: bonds (distance) C4'-P energy: -0.534 bonds (distance) P-C4' energy: -6.969 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -1.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -44.989197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.989197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.989197 (E_RNA) where: Base-Base interactions energy: -13.888 where: short stacking energy: -13.888 Base-Backbone interact. energy: -0.000 local terms energy: -31.101605 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -44.415044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.415044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.415044 (E_RNA) where: Base-Base interactions energy: -11.347 where: short stacking energy: -11.347 Base-Backbone interact. energy: -0.061 local terms energy: -33.007008 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -5.726 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: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -39.269978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.269978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.269978 (E_RNA) where: Base-Base interactions energy: -8.540 where: short stacking energy: -8.239 Base-Backbone interact. energy: -0.125 local terms energy: -30.604903 where: bonds (distance) C4'-P energy: -6.473 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -4.666 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -43.648057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.648057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.648057 (E_RNA) where: Base-Base interactions energy: -14.305 where: short stacking energy: -14.305 Base-Backbone interact. energy: -0.742 local terms energy: -28.601239 where: bonds (distance) C4'-P energy: -5.647 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -3.869 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: 8 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -39.141317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.141317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.141317 (E_RNA) where: Base-Base interactions energy: -9.940 where: short stacking energy: -10.255 Base-Backbone interact. energy: -0.005 local terms energy: -29.196106 where: bonds (distance) C4'-P energy: -6.489 bonds (distance) P-C4' energy: -7.445 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -3.414 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: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -38.623656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.623656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.623656 (E_RNA) where: Base-Base interactions energy: -10.119 where: short stacking energy: -10.119 Base-Backbone interact. energy: -1.667 local terms energy: -26.837755 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -4.340 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -36.784246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.784246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.784246 (E_RNA) where: Base-Base interactions energy: -10.856 where: short stacking energy: -10.856 Base-Backbone interact. energy: -0.001 local terms energy: -25.927953 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -35.233391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.233391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.233391 (E_RNA) where: Base-Base interactions energy: -12.609 where: short stacking energy: -12.609 Base-Backbone interact. energy: -0.001 local terms energy: -22.622900 where: bonds (distance) C4'-P energy: -4.886 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -34.173754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.173754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.173754 (E_RNA) where: Base-Base interactions energy: -8.138 where: short stacking energy: -8.138 Base-Backbone interact. energy: -0.026 local terms energy: -26.010044 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -3.724 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -4.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -34.010221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.010221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.010221 (E_RNA) where: Base-Base interactions energy: -9.677 where: short stacking energy: -3.875 Base-Backbone interact. energy: -0.154 local terms energy: -24.179406 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.398 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: 1, replica: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -51.556277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.556277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.556277 (E_RNA) where: Base-Base interactions energy: -20.328 where: short stacking energy: -20.328 Base-Backbone interact. energy: -0.092 local terms energy: -31.136299 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -45.801148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.801148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.801148 (E_RNA) where: Base-Base interactions energy: -17.326 where: short stacking energy: -17.326 Base-Backbone interact. energy: -0.006 local terms energy: -28.469479 where: bonds (distance) C4'-P energy: -5.346 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -5.827 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: 3, replica: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -39.907700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.907700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.907700 (E_RNA) where: Base-Base interactions energy: -10.572 where: short stacking energy: -10.572 Base-Backbone interact. energy: -0.000 local terms energy: -29.335498 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -8.185 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -33.986522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.986522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.986522 (E_RNA) where: Base-Base interactions energy: -8.060 where: short stacking energy: -6.818 Base-Backbone interact. energy: -0.041 local terms energy: -25.885015 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -6.880 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -6.521 tors. eta vs tors. theta energy: 0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -43.132359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.132359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.132359 (E_RNA) where: Base-Base interactions energy: -13.957 where: short stacking energy: -13.957 Base-Backbone interact. energy: -0.012 local terms energy: -29.163544 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -5.062 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: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -39.311642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.311642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.311642 (E_RNA) where: Base-Base interactions energy: -13.000 where: short stacking energy: -13.000 Base-Backbone interact. energy: -0.000 local terms energy: -26.311456 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -1.779 tors. eta vs tors. theta energy: -5.294 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: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -31.116129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.116129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.116129 (E_RNA) where: Base-Base interactions energy: -7.278 where: short stacking energy: -7.278 Base-Backbone interact. energy: -0.023 local terms energy: -23.815612 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -4.262 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: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -37.038186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.038186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.038186 (E_RNA) where: Base-Base interactions energy: -10.819 where: short stacking energy: -10.819 Base-Backbone interact. energy: -0.025 local terms energy: -26.193821 where: bonds (distance) C4'-P energy: -6.013 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -3.611 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: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -30.937800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.937800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.937800 (E_RNA) where: Base-Base interactions energy: -4.794 where: short stacking energy: -4.794 Base-Backbone interact. energy: -0.026 local terms energy: -26.118045 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -29.495323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.495323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.495323 (E_RNA) where: Base-Base interactions energy: -3.190 where: short stacking energy: -3.190 Base-Backbone interact. energy: -0.136 local terms energy: -26.169297 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: 0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -41.917457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.917457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.917457 (E_RNA) where: Base-Base interactions energy: -14.257 where: short stacking energy: -9.927 Base-Backbone interact. energy: -0.033 local terms energy: -27.627367 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -4.579 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: 2, replica: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -40.017695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.017695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.017695 (E_RNA) where: Base-Base interactions energy: -12.604 where: short stacking energy: -12.604 Base-Backbone interact. energy: -0.040 local terms energy: -27.373260 where: bonds (distance) C4'-P energy: -5.983 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -4.434 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: 3, replica: 10 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -47.057774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.057774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.057774 (E_RNA) where: Base-Base interactions energy: -16.599 where: short stacking energy: -16.599 Base-Backbone interact. energy: -0.005 local terms energy: -30.453905 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -43.410178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.410178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.410178 (E_RNA) where: Base-Base interactions energy: -15.383 where: short stacking energy: -15.383 Base-Backbone interact. energy: -0.000 local terms energy: -28.026840 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -43.012199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.012199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.012199 (E_RNA) where: Base-Base interactions energy: -15.545 where: short stacking energy: -14.738 Base-Backbone interact. energy: -0.057 local terms energy: -27.409567 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -1.170 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -34.128614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.128614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.128614 (E_RNA) where: Base-Base interactions energy: -7.871 where: short stacking energy: -7.871 Base-Backbone interact. energy: -0.002 local terms energy: -26.255187 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -37.990025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.990025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.990025 (E_RNA) where: Base-Base interactions energy: -10.586 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.885 local terms energy: -26.518630 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -2.033 tors. eta vs tors. theta energy: -3.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -30.802371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.802371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.802371 (E_RNA) where: Base-Base interactions energy: -6.283 where: short stacking energy: -6.283 Base-Backbone interact. energy: 0.653 local terms energy: -25.172242 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -31.518403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518403 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.055 local terms energy: -23.310267 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -5.547 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: 10, replica: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -33.646645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.646645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.646645 (E_RNA) where: Base-Base interactions energy: -10.469 where: short stacking energy: -10.469 Base-Backbone interact. energy: -0.098 local terms energy: -23.079623 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -3.690 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: 1, replica: 1 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -46.829814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.829814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.829814 (E_RNA) where: Base-Base interactions energy: -14.518 where: short stacking energy: -14.518 Base-Backbone interact. energy: -0.006 local terms energy: -32.305966 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.117 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: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -41.308258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.308258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.308258 (E_RNA) where: Base-Base interactions energy: -10.591 where: short stacking energy: -10.591 Base-Backbone interact. energy: -0.001 local terms energy: -30.715795 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -4.863 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: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -35.448492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.448492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.448492 (E_RNA) where: Base-Base interactions energy: -6.706 where: short stacking energy: -6.706 Base-Backbone interact. energy: -0.391 local terms energy: -28.351492 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -3.276 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: 4, replica: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -43.757403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.757403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.757403 (E_RNA) where: Base-Base interactions energy: -16.549 where: short stacking energy: -16.549 Base-Backbone interact. energy: -0.174 local terms energy: -27.033951 where: bonds (distance) C4'-P energy: -5.904 bonds (distance) P-C4' energy: -3.705 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -5.610 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: 5, replica: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -37.340094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.340094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.340094 (E_RNA) where: Base-Base interactions energy: -7.140 where: short stacking energy: -7.140 Base-Backbone interact. energy: -0.880 local terms energy: -29.319538 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -38.185080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.185080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.185080 (E_RNA) where: Base-Base interactions energy: -13.612 where: short stacking energy: -13.612 Base-Backbone interact. energy: -0.043 local terms energy: -24.529972 where: bonds (distance) C4'-P energy: -4.228 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -3.257 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: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -32.616603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.616603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.616603 (E_RNA) where: Base-Base interactions energy: -5.038 where: short stacking energy: -5.038 Base-Backbone interact. energy: -0.082 local terms energy: -27.496832 where: bonds (distance) C4'-P energy: -7.138 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -4.654 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: 8, replica: 8 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -34.559527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.559527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.559527 (E_RNA) where: Base-Base interactions energy: -6.235 where: short stacking energy: -5.796 Base-Backbone interact. energy: -0.095 local terms energy: -28.229544 where: bonds (distance) C4'-P energy: -7.072 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -3.792 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: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -31.957571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.957571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.957571 (E_RNA) where: Base-Base interactions energy: -5.068 where: short stacking energy: -5.068 Base-Backbone interact. energy: -0.000 local terms energy: -26.889683 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -6.932 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -1.676 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: 10, replica: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -28.942384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.942384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.942384 (E_RNA) where: Base-Base interactions energy: -6.046 where: short stacking energy: -6.046 Base-Backbone interact. energy: -0.055 local terms energy: -22.841298 where: bonds (distance) C4'-P energy: -1.303 bonds (distance) P-C4' energy: -6.662 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -6.269 tors. eta vs tors. theta energy: -0.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -47.630521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.630521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.630521 (E_RNA) where: Base-Base interactions energy: -14.141 where: short stacking energy: -14.141 Base-Backbone interact. energy: -0.176 local terms energy: -33.313509 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -4.919 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: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -54.275214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.275214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.275214 (E_RNA) where: Base-Base interactions energy: -21.080 where: short stacking energy: -21.080 Base-Backbone interact. energy: -0.013 local terms energy: -33.181889 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: -6.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -46.906628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.906628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.906628 (E_RNA) where: Base-Base interactions energy: -14.324 where: short stacking energy: -14.324 Base-Backbone interact. energy: -0.046 local terms energy: -32.536581 where: bonds (distance) C4'-P energy: -6.352 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -6.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -42.219063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.219063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.219063 (E_RNA) where: Base-Base interactions energy: -14.467 where: short stacking energy: -14.467 Base-Backbone interact. energy: -0.100 local terms energy: -27.651817 where: bonds (distance) C4'-P energy: -4.601 bonds (distance) P-C4' energy: -6.022 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -36.210096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.210096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.210096 (E_RNA) where: Base-Base interactions energy: -9.281 where: short stacking energy: -9.281 Base-Backbone interact. energy: -0.001 local terms energy: -26.928671 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -7.793 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -36.558946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.558946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.558946 (E_RNA) where: Base-Base interactions energy: -6.499 where: short stacking energy: -6.244 Base-Backbone interact. energy: -0.057 local terms energy: -30.002491 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.776 flat angles P-C4'-P energy: -6.328 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: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -34.215925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.215925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.215925 (E_RNA) where: Base-Base interactions energy: -11.020 where: short stacking energy: -11.020 Base-Backbone interact. energy: -0.001 local terms energy: -23.194103 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -6.147 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -4.178 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: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -31.890716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.890716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.890716 (E_RNA) where: Base-Base interactions energy: -7.653 where: short stacking energy: -5.710 Base-Backbone interact. energy: -0.155 local terms energy: -24.082651 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -4.353 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -29.086958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.086958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.086958 (E_RNA) where: Base-Base interactions energy: -6.322 where: short stacking energy: -6.322 Base-Backbone interact. energy: -0.032 local terms energy: -22.732950 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -6.049 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: 2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -35.062477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.062477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.062477 (E_RNA) where: Base-Base interactions energy: -10.257 where: short stacking energy: -9.385 Base-Backbone interact. energy: -0.000 local terms energy: -24.805300 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -1.753 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -44.233768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.233768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.233768 (E_RNA) where: Base-Base interactions energy: -12.518 where: short stacking energy: -12.629 Base-Backbone interact. energy: -0.011 local terms energy: -31.705187 where: bonds (distance) C4'-P energy: -7.209 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -41.605575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.605575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.605575 (E_RNA) where: Base-Base interactions energy: -10.857 where: short stacking energy: -10.857 Base-Backbone interact. energy: -0.002 local terms energy: -30.746746 where: bonds (distance) C4'-P energy: -6.807 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -6.125 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: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -42.726393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.726393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.726393 (E_RNA) where: Base-Base interactions energy: -14.471 where: short stacking energy: -14.471 Base-Backbone interact. energy: -0.001 local terms energy: -28.253564 where: bonds (distance) C4'-P energy: -6.414 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -1.780 tors. eta vs tors. theta energy: -5.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -40.098094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.098094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.098094 (E_RNA) where: Base-Base interactions energy: -11.683 where: short stacking energy: -11.683 Base-Backbone interact. energy: -0.004 local terms energy: -28.410962 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -40.368749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.368749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.368749 (E_RNA) where: Base-Base interactions energy: -11.334 where: short stacking energy: -11.334 Base-Backbone interact. energy: -0.024 local terms energy: -29.010530 where: bonds (distance) C4'-P energy: -6.290 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -6.721 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -35.222549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.222549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.222549 (E_RNA) where: Base-Base interactions energy: -9.883 where: short stacking energy: -9.883 Base-Backbone interact. energy: -0.113 local terms energy: -25.226439 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -33.886050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.886050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.886050 (E_RNA) where: Base-Base interactions energy: -10.333 where: short stacking energy: -10.333 Base-Backbone interact. energy: -0.001 local terms energy: -23.551754 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -5.027 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: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -32.583820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.583820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.583820 (E_RNA) where: Base-Base interactions energy: -4.894 where: short stacking energy: -4.894 Base-Backbone interact. energy: -0.000 local terms energy: -27.689996 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -2.140 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: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -32.962138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.962138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.962138 (E_RNA) where: Base-Base interactions energy: -3.641 where: short stacking energy: -3.892 Base-Backbone interact. energy: -0.671 local terms energy: -28.649271 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: 0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -30.049916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.049916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.049916 (E_RNA) where: Base-Base interactions energy: -10.546 where: short stacking energy: -8.552 Base-Backbone interact. energy: -0.001 local terms energy: -19.503008 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -2.731 flat angles P-C4'-P energy: -2.782 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: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -47.443072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.443072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.443072 (E_RNA) where: Base-Base interactions energy: -13.098 where: short stacking energy: -13.098 Base-Backbone interact. energy: -0.001 local terms energy: -34.344333 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -5.665 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: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -42.026622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.026622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.026622 (E_RNA) where: Base-Base interactions energy: -11.693 where: short stacking energy: -11.693 Base-Backbone interact. energy: -0.267 local terms energy: -30.066851 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -40.941458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.941458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.941458 (E_RNA) where: Base-Base interactions energy: -13.429 where: short stacking energy: -13.429 Base-Backbone interact. energy: -0.212 local terms energy: -27.299948 where: bonds (distance) C4'-P energy: -5.913 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -3.053 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -45.484452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.484452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.484452 (E_RNA) where: Base-Base interactions energy: -12.827 where: short stacking energy: -12.827 Base-Backbone interact. energy: -0.075 local terms energy: -32.582559 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -4.719 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: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -37.353438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.353438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.353438 (E_RNA) where: Base-Base interactions energy: -10.260 where: short stacking energy: -10.197 Base-Backbone interact. energy: 0.808 local terms energy: -27.901269 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -2.262 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: 6, replica: 9 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -37.458982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.458982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.458982 (E_RNA) where: Base-Base interactions energy: -8.451 where: short stacking energy: -8.451 Base-Backbone interact. energy: -0.012 local terms energy: -28.996356 where: bonds (distance) C4'-P energy: -6.413 bonds (distance) P-C4' energy: -7.709 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -5.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -32.317462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.317462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.317462 (E_RNA) where: Base-Base interactions energy: -12.126 where: short stacking energy: -12.126 Base-Backbone interact. energy: -0.046 local terms energy: -20.145447 where: bonds (distance) C4'-P energy: -3.412 bonds (distance) P-C4' energy: -6.746 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -2.667 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: 8, replica: 6 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -30.873522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.873522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.873522 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.095 local terms energy: -30.778975 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -4.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -35.105395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.105395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.105395 (E_RNA) where: Base-Base interactions energy: -7.725 where: short stacking energy: -7.725 Base-Backbone interact. energy: -0.089 local terms energy: -27.291724 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -32.094414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.094414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.094414 (E_RNA) where: Base-Base interactions energy: -11.280 where: short stacking energy: -8.882 Base-Backbone interact. energy: -0.006 local terms energy: -20.808378 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -0.630 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: 1, replica: 1 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -44.316294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.316294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.316294 (E_RNA) where: Base-Base interactions energy: -12.482 where: short stacking energy: -11.797 Base-Backbone interact. energy: -0.178 local terms energy: -31.656347 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -6.453 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: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -44.207104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.207104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.207104 (E_RNA) where: Base-Base interactions energy: -15.218 where: short stacking energy: -15.218 Base-Backbone interact. energy: -0.105 local terms energy: -28.884031 where: bonds (distance) C4'-P energy: -5.437 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -5.931 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: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -39.711335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.711335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.711335 (E_RNA) where: Base-Base interactions energy: -10.601 where: short stacking energy: -10.601 Base-Backbone interact. energy: -0.012 local terms energy: -29.097747 where: bonds (distance) C4'-P energy: -6.890 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -3.953 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: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -33.713273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.713273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.713273 (E_RNA) where: Base-Base interactions energy: -8.184 where: short stacking energy: -8.184 Base-Backbone interact. energy: -0.017 local terms energy: -25.512622 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -0.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -36.508414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.508414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.508414 (E_RNA) where: Base-Base interactions energy: -4.948 where: short stacking energy: -4.948 Base-Backbone interact. energy: -0.014 local terms energy: -31.546294 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -6.080 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: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -38.911076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.911076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.911076 (E_RNA) where: Base-Base interactions energy: -12.867 where: short stacking energy: -10.307 Base-Backbone interact. energy: -0.004 local terms energy: -26.040071 where: bonds (distance) C4'-P energy: -5.739 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -5.002 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: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -33.955062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.955062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.955062 (E_RNA) where: Base-Base interactions energy: -9.414 where: short stacking energy: -9.414 Base-Backbone interact. energy: -0.005 local terms energy: -24.536628 where: bonds (distance) C4'-P energy: -6.691 bonds (distance) P-C4' energy: -6.537 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -4.107 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: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -34.139207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.139207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.139207 (E_RNA) where: Base-Base interactions energy: -11.006 where: short stacking energy: -11.006 Base-Backbone interact. energy: -0.006 local terms energy: -23.127311 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -3.762 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: 9, replica: 8 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -38.173945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.173945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.173945 (E_RNA) where: Base-Base interactions energy: -8.189 where: short stacking energy: -8.189 Base-Backbone interact. energy: -1.272 local terms energy: -28.712700 where: bonds (distance) C4'-P energy: -5.763 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -33.711039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.711039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.711039 (E_RNA) where: Base-Base interactions energy: -11.595 where: short stacking energy: -11.595 Base-Backbone interact. energy: -0.084 local terms energy: -22.031722 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -1.558 flat angles P-C4'-P energy: -5.658 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: 1, replica: 1 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -48.350578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.350578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.350578 (E_RNA) where: Base-Base interactions energy: -14.656 where: short stacking energy: -14.656 Base-Backbone interact. energy: -0.001 local terms energy: -33.694240 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -43.673783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.673783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.673783 (E_RNA) where: Base-Base interactions energy: -13.837 where: short stacking energy: -13.837 Base-Backbone interact. energy: -0.000 local terms energy: -29.837184 where: bonds (distance) C4'-P energy: -6.236 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -44.857934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.857934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.857934 (E_RNA) where: Base-Base interactions energy: -17.362 where: short stacking energy: -17.362 Base-Backbone interact. energy: -0.076 local terms energy: -27.419818 where: bonds (distance) C4'-P energy: -4.870 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -4.191 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: 4, replica: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -43.466359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.466359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.466359 (E_RNA) where: Base-Base interactions energy: -12.666 where: short stacking energy: -12.666 Base-Backbone interact. energy: -0.000 local terms energy: -30.800454 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -4.415 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: 5, replica: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -40.707797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.707797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.707797 (E_RNA) where: Base-Base interactions energy: -12.865 where: short stacking energy: -12.865 Base-Backbone interact. energy: -0.026 local terms energy: -27.817069 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -1.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -39.974439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.974439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.974439 (E_RNA) where: Base-Base interactions energy: -10.959 where: short stacking energy: -10.943 Base-Backbone interact. energy: -0.002 local terms energy: -29.013406 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -7.706 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -33.516144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.516144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.516144 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.003 local terms energy: -23.324256 where: bonds (distance) C4'-P energy: -6.473 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -2.525 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -33.025273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.025273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.025273 (E_RNA) where: Base-Base interactions energy: -7.310 where: short stacking energy: -6.168 Base-Backbone interact. energy: -0.004 local terms energy: -25.711460 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -34.385429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.385429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.385429 (E_RNA) where: Base-Base interactions energy: -9.966 where: short stacking energy: -9.966 Base-Backbone interact. energy: -0.001 local terms energy: -24.418097 where: bonds (distance) C4'-P energy: -4.965 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -27.748946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.748946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.748946 (E_RNA) where: Base-Base interactions energy: 0.117 where: short stacking energy: 0.117 Base-Backbone interact. energy: -0.012 local terms energy: -27.854219 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.516 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -46.219552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.219552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.219552 (E_RNA) where: Base-Base interactions energy: -14.729 where: short stacking energy: -14.729 Base-Backbone interact. energy: -0.000 local terms energy: -31.490695 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -6.422 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: 2, replica: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -43.455163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.455163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.455163 (E_RNA) where: Base-Base interactions energy: -14.127 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.120 local terms energy: -29.207723 where: bonds (distance) C4'-P energy: -6.062 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -5.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -40.806143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.806143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.806143 (E_RNA) where: Base-Base interactions energy: -13.668 where: short stacking energy: -13.668 Base-Backbone interact. energy: -0.099 local terms energy: -27.038894 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -7.911 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -1.345 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: 4, replica: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -35.080762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.080762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.080762 (E_RNA) where: Base-Base interactions energy: -10.135 where: short stacking energy: -10.135 Base-Backbone interact. energy: -1.092 local terms energy: -23.854393 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -4.301 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: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -39.042264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.042264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.042264 (E_RNA) where: Base-Base interactions energy: -6.597 where: short stacking energy: -6.597 Base-Backbone interact. energy: -0.000 local terms energy: -32.444950 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -6.393 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: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -35.458751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.458751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.458751 (E_RNA) where: Base-Base interactions energy: -8.601 where: short stacking energy: -8.601 Base-Backbone interact. energy: -0.072 local terms energy: -26.785393 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.225 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: 7, replica: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -35.832951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.832951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.832951 (E_RNA) where: Base-Base interactions energy: -8.309 where: short stacking energy: -8.309 Base-Backbone interact. energy: -0.190 local terms energy: -27.333711 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -4.540 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: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -32.562335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.562335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.562335 (E_RNA) where: Base-Base interactions energy: -6.789 where: short stacking energy: -6.789 Base-Backbone interact. energy: -0.004 local terms energy: -25.769955 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: -0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -34.459522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.459522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.459522 (E_RNA) where: Base-Base interactions energy: -10.312 where: short stacking energy: -10.312 Base-Backbone interact. energy: -0.001 local terms energy: -24.147031 where: bonds (distance) C4'-P energy: -2.394 bonds (distance) P-C4' energy: -7.215 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -4.600 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: 10, replica: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -34.875887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.875887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.875887 (E_RNA) where: Base-Base interactions energy: -8.576 where: short stacking energy: -8.576 Base-Backbone interact. energy: 0.106 local terms energy: -26.406476 where: bonds (distance) C4'-P energy: -5.176 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -36.812082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.812082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.812082 (E_RNA) where: Base-Base interactions energy: -8.437 where: short stacking energy: -8.437 Base-Backbone interact. energy: -0.001 local terms energy: -28.373941 where: bonds (distance) C4'-P energy: -7.254 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -5.020 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: 2, replica: 9 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -45.986429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.986429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.986429 (E_RNA) where: Base-Base interactions energy: -13.836 where: short stacking energy: -13.836 Base-Backbone interact. energy: -0.000 local terms energy: -32.150527 where: bonds (distance) C4'-P energy: -6.757 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -5.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -47.525904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.525904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.525904 (E_RNA) where: Base-Base interactions energy: -12.725 where: short stacking energy: -12.725 Base-Backbone interact. energy: -0.000 local terms energy: -34.800558 where: bonds (distance) C4'-P energy: -6.928 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -7.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -37.968217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.968217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.968217 (E_RNA) where: Base-Base interactions energy: -8.036 where: short stacking energy: -8.036 Base-Backbone interact. energy: -0.001 local terms energy: -29.931261 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -7.626 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -5.838 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: 5, replica: 3 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -38.026182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.026182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.026182 (E_RNA) where: Base-Base interactions energy: -12.254 where: short stacking energy: -12.254 Base-Backbone interact. energy: 2.015 local terms energy: -27.787438 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -39.311632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.311632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.311632 (E_RNA) where: Base-Base interactions energy: -13.994 where: short stacking energy: -13.994 Base-Backbone interact. energy: -0.061 local terms energy: -25.256416 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -4.127 flat angles P-C4'-P energy: -3.796 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: 7, replica: 2 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -38.033979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.033979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.033979 (E_RNA) where: Base-Base interactions energy: -10.199 where: short stacking energy: -10.199 Base-Backbone interact. energy: -0.211 local terms energy: -27.623915 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -6.742 flat angles P-C4'-P energy: -4.928 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: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -33.579672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.579672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.579672 (E_RNA) where: Base-Base interactions energy: -6.297 where: short stacking energy: -6.297 Base-Backbone interact. energy: -0.043 local terms energy: -27.239668 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -32.485808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.485808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.485808 (E_RNA) where: Base-Base interactions energy: -3.933 where: short stacking energy: -3.933 Base-Backbone interact. energy: -0.087 local terms energy: -28.465975 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -5.869 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: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -29.751133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.751133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.751133 (E_RNA) where: Base-Base interactions energy: -7.633 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.024 local terms energy: -22.093930 where: bonds (distance) C4'-P energy: -3.376 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -5.162 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: 1, replica: 4 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -49.266048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.266048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.266048 (E_RNA) where: Base-Base interactions energy: -14.285 where: short stacking energy: -14.285 Base-Backbone interact. energy: -0.000 local terms energy: -34.981106 where: bonds (distance) C4'-P energy: -6.832 bonds (distance) P-C4' energy: -8.700 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -5.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -39.951855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.951855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.951855 (E_RNA) where: Base-Base interactions energy: -14.025 where: short stacking energy: -13.201 Base-Backbone interact. energy: -0.100 local terms energy: -25.827251 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -43.860339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.860339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.860339 (E_RNA) where: Base-Base interactions energy: -11.801 where: short stacking energy: -11.801 Base-Backbone interact. energy: -0.000 local terms energy: -32.059024 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -6.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -38.719986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.719986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.719986 (E_RNA) where: Base-Base interactions energy: -9.671 where: short stacking energy: -9.671 Base-Backbone interact. energy: -0.015 local terms energy: -29.034414 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -8.055 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -36.513779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.513779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.513779 (E_RNA) where: Base-Base interactions energy: -16.294 where: short stacking energy: -14.882 Base-Backbone interact. energy: -0.098 local terms energy: -20.121943 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -1.170 flat angles P-C4'-P energy: -0.918 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: 6, replica: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -37.115364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.115364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.115364 (E_RNA) where: Base-Base interactions energy: -10.552 where: short stacking energy: -8.769 Base-Backbone interact. energy: -0.127 local terms energy: -26.437205 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -2.804 tors. eta vs tors. theta energy: -1.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -35.558281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.558281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.558281 (E_RNA) where: Base-Base interactions energy: -6.412 where: short stacking energy: -6.412 Base-Backbone interact. energy: -0.061 local terms energy: -29.084787 where: bonds (distance) C4'-P energy: -6.041 bonds (distance) P-C4' energy: -7.224 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -32.167509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.167509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.167509 (E_RNA) where: Base-Base interactions energy: -8.317 where: short stacking energy: -8.317 Base-Backbone interact. energy: -0.096 local terms energy: -23.754893 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -4.738 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -5.374 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: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -31.740446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.740446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.740446 (E_RNA) where: Base-Base interactions energy: -7.883 where: short stacking energy: -7.883 Base-Backbone interact. energy: -0.005 local terms energy: -23.852268 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -2.964 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: 10, replica: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -32.234516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.234516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.234516 (E_RNA) where: Base-Base interactions energy: -7.333 where: short stacking energy: -7.333 Base-Backbone interact. energy: -0.725 local terms energy: -24.176771 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -4.981 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: 1, replica: 4 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -43.447002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.447002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.447002 (E_RNA) where: Base-Base interactions energy: -11.077 where: short stacking energy: -11.077 Base-Backbone interact. energy: -0.002 local terms energy: -32.368694 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -8.192 flat angles P-C4'-P energy: -2.516 tors. eta vs tors. theta energy: -6.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -37.696459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.696459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.696459 (E_RNA) where: Base-Base interactions energy: -10.432 where: short stacking energy: -10.432 Base-Backbone interact. energy: -0.064 local terms energy: -27.200298 where: bonds (distance) C4'-P energy: -6.298 bonds (distance) P-C4' energy: -5.914 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -6.373 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: 73 Temperature: 1.000000 Total energy: -38.929324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.929324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.929324 (E_RNA) where: Base-Base interactions energy: -9.367 where: short stacking energy: -9.510 Base-Backbone interact. energy: -0.031 local terms energy: -29.531252 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -38.003442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.003442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.003442 (E_RNA) where: Base-Base interactions energy: -10.942 where: short stacking energy: -9.169 Base-Backbone interact. energy: -0.070 local terms energy: -26.991899 where: bonds (distance) C4'-P energy: -5.577 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -33.451870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.451870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.451870 (E_RNA) where: Base-Base interactions energy: -12.155 where: short stacking energy: -12.155 Base-Backbone interact. energy: -0.097 local terms energy: -21.199474 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -2.509 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -0.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -33.844289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.844289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.844289 (E_RNA) where: Base-Base interactions energy: -8.192 where: short stacking energy: -8.192 Base-Backbone interact. energy: -0.009 local terms energy: -25.643284 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -2.157 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: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -33.944823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.944823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.944823 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -7.841 Base-Backbone interact. energy: -0.002 local terms energy: -22.867609 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -2.021 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -36.142003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.142003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.142003 (E_RNA) where: Base-Base interactions energy: -8.816 where: short stacking energy: -7.406 Base-Backbone interact. energy: 0.066 local terms energy: -27.392491 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -5.933 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -4.890 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: 9, replica: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -35.193305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.193305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.193305 (E_RNA) where: Base-Base interactions energy: -5.515 where: short stacking energy: -3.484 Base-Backbone interact. energy: -0.000 local terms energy: -29.678703 where: bonds (distance) C4'-P energy: -5.880 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -31.826455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.826455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.826455 (E_RNA) where: Base-Base interactions energy: -7.231 where: short stacking energy: -7.231 Base-Backbone interact. energy: -0.144 local terms energy: -24.451290 where: bonds (distance) C4'-P energy: -6.881 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -3.884 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: 1, replica: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -45.064957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.064957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.064957 (E_RNA) where: Base-Base interactions energy: -12.127 where: short stacking energy: -12.127 Base-Backbone interact. energy: -0.001 local terms energy: -32.936774 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -45.011256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.011256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.011256 (E_RNA) where: Base-Base interactions energy: -14.716 where: short stacking energy: -14.716 Base-Backbone interact. energy: -0.000 local terms energy: -30.295051 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -3.549 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -6.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -36.312538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.312538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.312538 (E_RNA) where: Base-Base interactions energy: -11.050 where: short stacking energy: -11.050 Base-Backbone interact. energy: -0.133 local terms energy: -25.130014 where: bonds (distance) C4'-P energy: -5.755 bonds (distance) P-C4' energy: -6.186 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -38.639621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.639621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.639621 (E_RNA) where: Base-Base interactions energy: -9.386 where: short stacking energy: -9.346 Base-Backbone interact. energy: 0.333 local terms energy: -29.586912 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: -0.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -32.952005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.952005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.952005 (E_RNA) where: Base-Base interactions energy: -7.699 where: short stacking energy: -7.699 Base-Backbone interact. energy: -0.633 local terms energy: -24.619619 where: bonds (distance) C4'-P energy: -7.034 bonds (distance) P-C4' energy: -4.510 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -42.000577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.000577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.000577 (E_RNA) where: Base-Base interactions energy: -13.693 where: short stacking energy: -13.766 Base-Backbone interact. energy: -0.011 local terms energy: -28.296946 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -33.930158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.930158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.930158 (E_RNA) where: Base-Base interactions energy: -10.293 where: short stacking energy: -10.293 Base-Backbone interact. energy: -0.009 local terms energy: -23.627561 where: bonds (distance) C4'-P energy: -6.600 bonds (distance) P-C4' energy: -4.120 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -31.375468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.375468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.375468 (E_RNA) where: Base-Base interactions energy: -10.548 where: short stacking energy: -5.783 Base-Backbone interact. energy: -0.984 local terms energy: -19.843332 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -6.062 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: 0.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -32.565184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.565184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.565184 (E_RNA) where: Base-Base interactions energy: -8.228 where: short stacking energy: -8.230 Base-Backbone interact. energy: -0.146 local terms energy: -24.191581 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -4.374 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: 2 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -33.729017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.729017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.729017 (E_RNA) where: Base-Base interactions energy: -10.175 where: short stacking energy: -10.175 Base-Backbone interact. energy: -0.003 local terms energy: -23.550975 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -2.195 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: 1, replica: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -45.119990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.119990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.119990 (E_RNA) where: Base-Base interactions energy: -14.182 where: short stacking energy: -14.182 Base-Backbone interact. energy: -0.027 local terms energy: -30.910445 where: bonds (distance) C4'-P energy: -4.728 bonds (distance) P-C4' energy: -4.721 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -6.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -42.544221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.544221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.544221 (E_RNA) where: Base-Base interactions energy: -10.921 where: short stacking energy: -10.921 Base-Backbone interact. energy: -0.009 local terms energy: -31.614698 where: bonds (distance) C4'-P energy: -7.586 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -39.325502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.325502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.325502 (E_RNA) where: Base-Base interactions energy: -9.665 where: short stacking energy: -9.665 Base-Backbone interact. energy: -0.000 local terms energy: -29.660328 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -41.608541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.608541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.608541 (E_RNA) where: Base-Base interactions energy: -12.067 where: short stacking energy: -12.067 Base-Backbone interact. energy: -0.001 local terms energy: -29.540426 where: bonds (distance) C4'-P energy: -5.039 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -5.251 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: 5, replica: 9 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -33.019776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.019776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.019776 (E_RNA) where: Base-Base interactions energy: -8.026 where: short stacking energy: -4.855 Base-Backbone interact. energy: -0.188 local terms energy: -24.806018 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -6.908 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -35.283868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.283868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.283868 (E_RNA) where: Base-Base interactions energy: -7.247 where: short stacking energy: -6.156 Base-Backbone interact. energy: -0.071 local terms energy: -27.966102 where: bonds (distance) C4'-P energy: -5.337 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -6.116 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: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -38.152076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.152076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.152076 (E_RNA) where: Base-Base interactions energy: -8.482 where: short stacking energy: -6.971 Base-Backbone interact. energy: -0.000 local terms energy: -29.669830 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -6.369 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: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -32.530191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.530191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.530191 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.000 local terms energy: -24.831678 where: bonds (distance) C4'-P energy: -5.508 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -4.726 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: 3 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -30.971992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.971992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.971992 (E_RNA) where: Base-Base interactions energy: -8.536 where: short stacking energy: -8.536 Base-Backbone interact. energy: -0.062 local terms energy: -22.374371 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: 1.198 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: 10, replica: 2 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -38.160111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.160111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.160111 (E_RNA) where: Base-Base interactions energy: -13.716 where: short stacking energy: -13.716 Base-Backbone interact. energy: -0.101 local terms energy: -24.343006 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -2.262 tors. eta vs tors. theta energy: -1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -45.245963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.245963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.245963 (E_RNA) where: Base-Base interactions energy: -14.812 where: short stacking energy: -14.812 Base-Backbone interact. energy: -0.013 local terms energy: -30.420904 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -4.478 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: 1 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -40.236768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.236768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.236768 (E_RNA) where: Base-Base interactions energy: -12.408 where: short stacking energy: -11.356 Base-Backbone interact. energy: -0.268 local terms energy: -27.560525 where: bonds (distance) C4'-P energy: -5.904 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -4.860 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: 3, replica: 10 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -44.992038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.992038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.992038 (E_RNA) where: Base-Base interactions energy: -12.330 where: short stacking energy: -12.330 Base-Backbone interact. energy: -0.002 local terms energy: -32.660822 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -7.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -39.265369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.265369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.265369 (E_RNA) where: Base-Base interactions energy: -10.463 where: short stacking energy: -10.463 Base-Backbone interact. energy: -0.038 local terms energy: -28.764843 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -7.177 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: 5, replica: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -37.942185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.942185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.942185 (E_RNA) where: Base-Base interactions energy: -8.172 where: short stacking energy: -8.172 Base-Backbone interact. energy: -0.003 local terms energy: -29.767417 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -33.811479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.811479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.811479 (E_RNA) where: Base-Base interactions energy: -8.809 where: short stacking energy: -8.809 Base-Backbone interact. energy: -0.000 local terms energy: -25.001593 where: bonds (distance) C4'-P energy: -4.625 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -1.170 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: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -31.601206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.601206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.601206 (E_RNA) where: Base-Base interactions energy: -9.065 where: short stacking energy: -7.207 Base-Backbone interact. energy: -0.228 local terms energy: -22.308158 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -0.935 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -31.369212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.369212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.369212 (E_RNA) where: Base-Base interactions energy: -8.105 where: short stacking energy: -8.105 Base-Backbone interact. energy: -0.001 local terms energy: -23.263377 where: bonds (distance) C4'-P energy: -6.041 bonds (distance) P-C4' energy: -3.921 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -6.032 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: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -37.374484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.374484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.374484 (E_RNA) where: Base-Base interactions energy: -12.196 where: short stacking energy: -12.196 Base-Backbone interact. energy: -0.000 local terms energy: -25.178142 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -0.206 tors. eta vs tors. theta energy: -4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -30.132757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.132757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.132757 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.000 local terms energy: -19.432325 where: bonds (distance) C4'-P energy: -6.115 bonds (distance) P-C4' energy: -6.543 flat angles C4'-P-C4' energy: -2.009 flat angles P-C4'-P energy: -3.509 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: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -48.217254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.217254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.217254 (E_RNA) where: Base-Base interactions energy: -17.707 where: short stacking energy: -17.707 Base-Backbone interact. energy: -0.091 local terms energy: -30.418959 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -5.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -49.978092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.978092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.978092 (E_RNA) where: Base-Base interactions energy: -20.612 where: short stacking energy: -20.612 Base-Backbone interact. energy: -0.083 local terms energy: -29.283047 where: bonds (distance) C4'-P energy: -5.524 bonds (distance) P-C4' energy: -7.675 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -40.612871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.612871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.612871 (E_RNA) where: Base-Base interactions energy: -11.862 where: short stacking energy: -11.862 Base-Backbone interact. energy: -0.002 local terms energy: -28.748927 where: bonds (distance) C4'-P energy: -6.819 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -2.981 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: 4, replica: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -38.958345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.958345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.958345 (E_RNA) where: Base-Base interactions energy: -12.299 where: short stacking energy: -12.299 Base-Backbone interact. energy: -0.018 local terms energy: -26.642066 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -5.390 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: 5, replica: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -40.675125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.675125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.675125 (E_RNA) where: Base-Base interactions energy: -12.335 where: short stacking energy: -12.335 Base-Backbone interact. energy: -0.006 local terms energy: -28.333869 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -40.781882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.781882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.781882 (E_RNA) where: Base-Base interactions energy: -8.599 where: short stacking energy: -8.599 Base-Backbone interact. energy: -0.001 local terms energy: -32.181813 where: bonds (distance) C4'-P energy: -6.401 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -5.853 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: 7, replica: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -38.414331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.414331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.414331 (E_RNA) where: Base-Base interactions energy: -14.400 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.190 local terms energy: -23.824429 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -2.563 tors. eta vs tors. theta energy: -3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -32.831001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.831001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.831001 (E_RNA) where: Base-Base interactions energy: -9.991 where: short stacking energy: -9.991 Base-Backbone interact. energy: -0.002 local terms energy: -22.837298 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -2.765 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: 9, replica: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -34.889822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.889822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.889822 (E_RNA) where: Base-Base interactions energy: -12.796 where: short stacking energy: -12.796 Base-Backbone interact. energy: -0.004 local terms energy: -22.089496 where: bonds (distance) C4'-P energy: -7.449 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: 0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -34.362965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.362965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.362965 (E_RNA) where: Base-Base interactions energy: -8.002 where: short stacking energy: -8.002 Base-Backbone interact. energy: -0.043 local terms energy: -26.317678 where: bonds (distance) C4'-P energy: -7.734 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -3.342 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: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -46.456246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.456246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.456246 (E_RNA) where: Base-Base interactions energy: -14.143 where: short stacking energy: -14.143 Base-Backbone interact. energy: -0.009 local terms energy: -32.304685 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -5.647 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: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -36.686089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.686089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.686089 (E_RNA) where: Base-Base interactions energy: -6.446 where: short stacking energy: -6.446 Base-Backbone interact. energy: -1.191 local terms energy: -29.048967 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -4.468 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: 3, replica: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -43.832074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.832074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.832074 (E_RNA) where: Base-Base interactions energy: -14.674 where: short stacking energy: -14.674 Base-Backbone interact. energy: -0.001 local terms energy: -29.157050 where: bonds (distance) C4'-P energy: -5.090 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -36.255680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.255680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.255680 (E_RNA) where: Base-Base interactions energy: -4.802 where: short stacking energy: -4.802 Base-Backbone interact. energy: -0.000 local terms energy: -31.453212 where: bonds (distance) C4'-P energy: -6.939 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -37.892192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.892192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.892192 (E_RNA) where: Base-Base interactions energy: -8.730 where: short stacking energy: -8.730 Base-Backbone interact. energy: -0.020 local terms energy: -29.142694 where: bonds (distance) C4'-P energy: -7.010 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -36.075140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.075140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.075140 (E_RNA) where: Base-Base interactions energy: -8.099 where: short stacking energy: -8.099 Base-Backbone interact. energy: -0.000 local terms energy: -27.976230 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -39.241626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.241626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.241626 (E_RNA) where: Base-Base interactions energy: -9.784 where: short stacking energy: -9.784 Base-Backbone interact. energy: -0.010 local terms energy: -29.447749 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -6.230 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -6.557 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: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -34.402607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.402607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.402607 (E_RNA) where: Base-Base interactions energy: -11.396 where: short stacking energy: -8.637 Base-Backbone interact. energy: -0.189 local terms energy: -22.817768 where: bonds (distance) C4'-P energy: -6.303 bonds (distance) P-C4' energy: -6.114 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -3.207 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: 9, replica: 3 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -31.405864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405864 (E_RNA) where: Base-Base interactions energy: -3.887 where: short stacking energy: -3.389 Base-Backbone interact. energy: -0.025 local terms energy: -27.493537 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -5.354 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: 10, replica: 2 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -31.712905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.712905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.712905 (E_RNA) where: Base-Base interactions energy: -4.446 where: short stacking energy: -4.446 Base-Backbone interact. energy: -0.046 local terms energy: -27.220716 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.824 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: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -56.463425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.463425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.463425 (E_RNA) where: Base-Base interactions energy: -20.506 where: short stacking energy: -20.506 Base-Backbone interact. energy: -0.000 local terms energy: -35.956903 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -7.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -42.628982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.628982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.628982 (E_RNA) where: Base-Base interactions energy: -11.970 where: short stacking energy: -11.970 Base-Backbone interact. energy: -0.004 local terms energy: -30.654466 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -42.962469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.962469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.962469 (E_RNA) where: Base-Base interactions energy: -8.695 where: short stacking energy: -8.695 Base-Backbone interact. energy: -0.000 local terms energy: -34.267841 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -43.164837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.164837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.164837 (E_RNA) where: Base-Base interactions energy: -13.267 where: short stacking energy: -13.267 Base-Backbone interact. energy: -0.208 local terms energy: -29.690115 where: bonds (distance) C4'-P energy: -6.650 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -40.180151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.180151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.180151 (E_RNA) where: Base-Base interactions energy: -15.345 where: short stacking energy: -15.345 Base-Backbone interact. energy: -0.001 local terms energy: -24.834031 where: bonds (distance) C4'-P energy: -5.254 bonds (distance) P-C4' energy: -4.114 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -1.317 tors. eta vs tors. theta energy: -7.953 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: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -38.498136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.498136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.498136 (E_RNA) where: Base-Base interactions energy: -13.990 where: short stacking energy: -13.990 Base-Backbone interact. energy: -0.042 local terms energy: -24.466334 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -4.234 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -4.686 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: 7, replica: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -34.692971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.692971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.692971 (E_RNA) where: Base-Base interactions energy: -9.561 where: short stacking energy: -9.561 Base-Backbone interact. energy: -0.001 local terms energy: -25.131281 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -4.877 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -3.538 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: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -36.397755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.397755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.397755 (E_RNA) where: Base-Base interactions energy: -8.224 where: short stacking energy: -8.224 Base-Backbone interact. energy: -0.000 local terms energy: -28.174164 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -4.458 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: 9, replica: 3 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -32.672846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.672846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.672846 (E_RNA) where: Base-Base interactions energy: -7.115 where: short stacking energy: -7.115 Base-Backbone interact. energy: -0.002 local terms energy: -25.555819 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -3.036 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -35.326892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.326892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.326892 (E_RNA) where: Base-Base interactions energy: -6.699 where: short stacking energy: -6.699 Base-Backbone interact. energy: -0.000 local terms energy: -28.627592 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -55.729050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.729050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.729050 (E_RNA) where: Base-Base interactions energy: -20.430 where: short stacking energy: -20.430 Base-Backbone interact. energy: -0.000 local terms energy: -35.298941 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: -7.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -51.084292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.084292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.084292 (E_RNA) where: Base-Base interactions energy: -24.396 where: short stacking energy: -13.496 Base-Backbone interact. energy: -0.040 local terms energy: -26.648602 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -1.657 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: 3, replica: 5 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -40.966277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.966277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.966277 (E_RNA) where: Base-Base interactions energy: -14.496 where: short stacking energy: -13.566 Base-Backbone interact. energy: -0.153 local terms energy: -26.316517 where: bonds (distance) C4'-P energy: -4.080 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -5.245 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: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -39.938699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.938699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.938699 (E_RNA) where: Base-Base interactions energy: -9.758 where: short stacking energy: -9.819 Base-Backbone interact. energy: -0.084 local terms energy: -30.097051 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -40.865679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.865679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.865679 (E_RNA) where: Base-Base interactions energy: -9.632 where: short stacking energy: -9.632 Base-Backbone interact. energy: -0.013 local terms energy: -31.220641 where: bonds (distance) C4'-P energy: -6.050 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -32.389208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.389208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.389208 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: 0.164 local terms energy: -24.200967 where: bonds (distance) C4'-P energy: -5.230 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -3.063 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: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -33.669460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.669460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.669460 (E_RNA) where: Base-Base interactions energy: -9.343 where: short stacking energy: -9.343 Base-Backbone interact. energy: -0.001 local terms energy: -24.325731 where: bonds (distance) C4'-P energy: -4.024 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -3.279 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: 8, replica: 8 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -35.401160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.401160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.401160 (E_RNA) where: Base-Base interactions energy: -9.246 where: short stacking energy: -9.246 Base-Backbone interact. energy: -0.000 local terms energy: -26.154886 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -6.117 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -5.725 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: 2 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -31.877151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.877151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.877151 (E_RNA) where: Base-Base interactions energy: -5.832 where: short stacking energy: -5.832 Base-Backbone interact. energy: -0.000 local terms energy: -26.045267 where: bonds (distance) C4'-P energy: -6.401 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -3.053 flat angles P-C4'-P energy: -4.890 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: 10, replica: 3 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -34.763084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.763084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.763084 (E_RNA) where: Base-Base interactions energy: -10.046 where: short stacking energy: -10.046 Base-Backbone interact. energy: -0.001 local terms energy: -24.715391 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -3.874 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: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -46.691268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.691268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.691268 (E_RNA) where: Base-Base interactions energy: -16.191 where: short stacking energy: -16.191 Base-Backbone interact. energy: -0.003 local terms energy: -30.497017 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -3.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -44.208662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.208662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.208662 (E_RNA) where: Base-Base interactions energy: -13.157 where: short stacking energy: -13.157 Base-Backbone interact. energy: -0.028 local terms energy: -31.023868 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -5.230 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: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -43.390641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.390641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.390641 (E_RNA) where: Base-Base interactions energy: -13.468 where: short stacking energy: -13.238 Base-Backbone interact. energy: -0.064 local terms energy: -29.858845 where: bonds (distance) C4'-P energy: -5.330 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -5.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -38.783325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.783325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.783325 (E_RNA) where: Base-Base interactions energy: -9.140 where: short stacking energy: -7.313 Base-Backbone interact. energy: -0.081 local terms energy: -29.562112 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -5.169 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: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -42.240623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.240623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.240623 (E_RNA) where: Base-Base interactions energy: -12.527 where: short stacking energy: -11.518 Base-Backbone interact. energy: -0.038 local terms energy: -29.675078 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -4.094 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: 6, replica: 4 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -37.495505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.495505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.495505 (E_RNA) where: Base-Base interactions energy: -7.027 where: short stacking energy: -6.928 Base-Backbone interact. energy: -0.149 local terms energy: -30.319489 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -33.167366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.167366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.167366 (E_RNA) where: Base-Base interactions energy: -7.180 where: short stacking energy: -7.180 Base-Backbone interact. energy: -0.013 local terms energy: -25.973898 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -35.529903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.529903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.529903 (E_RNA) where: Base-Base interactions energy: -8.795 where: short stacking energy: -8.795 Base-Backbone interact. energy: -0.003 local terms energy: -26.732638 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -4.563 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -5.474 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: 9, replica: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -33.709933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.709933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.709933 (E_RNA) where: Base-Base interactions energy: -9.807 where: short stacking energy: -9.807 Base-Backbone interact. energy: -0.041 local terms energy: -23.861982 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -28.935091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.935091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.935091 (E_RNA) where: Base-Base interactions energy: -3.369 where: short stacking energy: -3.369 Base-Backbone interact. energy: -0.092 local terms energy: -25.474277 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -6.970 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.201 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: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -47.942274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.942274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.942274 (E_RNA) where: Base-Base interactions energy: -16.234 where: short stacking energy: -16.234 Base-Backbone interact. energy: -0.087 local terms energy: -31.621164 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -48.253080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.253080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.253080 (E_RNA) where: Base-Base interactions energy: -18.201 where: short stacking energy: -15.975 Base-Backbone interact. energy: -0.008 local terms energy: -30.043779 where: bonds (distance) C4'-P energy: -7.072 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -5.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -36.978771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.978771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.978771 (E_RNA) where: Base-Base interactions energy: -6.392 where: short stacking energy: -6.392 Base-Backbone interact. energy: -0.006 local terms energy: -30.581230 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -5.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -39.525857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.525857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.525857 (E_RNA) where: Base-Base interactions energy: -12.526 where: short stacking energy: -12.526 Base-Backbone interact. energy: -0.007 local terms energy: -26.992127 where: bonds (distance) C4'-P energy: -4.455 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -4.897 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: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -36.099998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.099998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.099998 (E_RNA) where: Base-Base interactions energy: -6.823 where: short stacking energy: -6.823 Base-Backbone interact. energy: -0.022 local terms energy: -29.255147 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -33.069796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.069796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.069796 (E_RNA) where: Base-Base interactions energy: -8.275 where: short stacking energy: -8.275 Base-Backbone interact. energy: 0.005 local terms energy: -24.799843 where: bonds (distance) C4'-P energy: -4.737 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -4.295 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: 7, replica: 2 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -31.811151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.811151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.811151 (E_RNA) where: Base-Base interactions energy: -3.632 where: short stacking energy: -3.632 Base-Backbone interact. energy: -0.000 local terms energy: -28.178607 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -5.500 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: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -35.656886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.656886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.656886 (E_RNA) where: Base-Base interactions energy: -9.275 where: short stacking energy: -9.275 Base-Backbone interact. energy: -0.014 local terms energy: -26.368113 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -6.614 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -6.163 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: 9, replica: 3 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -31.516228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.516228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.516228 (E_RNA) where: Base-Base interactions energy: -7.054 where: short stacking energy: -7.054 Base-Backbone interact. energy: -0.026 local terms energy: -24.436391 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -6.141 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: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -32.911448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.911448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.911448 (E_RNA) where: Base-Base interactions energy: -9.257 where: short stacking energy: -7.672 Base-Backbone interact. energy: -0.017 local terms energy: -23.637748 where: bonds (distance) C4'-P energy: -5.656 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -5.826 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: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -46.326751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.326751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.326751 (E_RNA) where: Base-Base interactions energy: -14.785 where: short stacking energy: -14.785 Base-Backbone interact. energy: -0.000 local terms energy: -31.541160 where: bonds (distance) C4'-P energy: -6.409 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -8.169 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -4.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -41.014798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.014798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.014798 (E_RNA) where: Base-Base interactions energy: -11.336 where: short stacking energy: -11.336 Base-Backbone interact. energy: -0.012 local terms energy: -29.666899 where: bonds (distance) C4'-P energy: -6.686 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -46.676395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.676395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.676395 (E_RNA) where: Base-Base interactions energy: -12.394 where: short stacking energy: -12.394 Base-Backbone interact. energy: -0.367 local terms energy: -33.915172 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -8.095 flat angles P-C4'-P energy: -5.117 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: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -39.488046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.488046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.488046 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.004 local terms energy: -27.192866 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -3.359 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -36.494040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.494040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.494040 (E_RNA) where: Base-Base interactions energy: -10.290 where: short stacking energy: -10.290 Base-Backbone interact. energy: -0.025 local terms energy: -26.179239 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -3.926 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: 6, replica: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -37.277624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.277624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.277624 (E_RNA) where: Base-Base interactions energy: -10.365 where: short stacking energy: -10.365 Base-Backbone interact. energy: -0.029 local terms energy: -26.884140 where: bonds (distance) C4'-P energy: -4.493 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -2.592 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: 83 Temperature: 1.200000 Total energy: -30.775848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.775848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.775848 (E_RNA) where: Base-Base interactions energy: -6.265 where: short stacking energy: -6.265 Base-Backbone interact. energy: -0.013 local terms energy: -24.497615 where: bonds (distance) C4'-P energy: -6.219 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -3.513 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: 8, replica: 3 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -32.471808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.471808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.471808 (E_RNA) where: Base-Base interactions energy: -10.867 where: short stacking energy: -8.160 Base-Backbone interact. energy: -0.052 local terms energy: -21.553173 where: bonds (distance) C4'-P energy: -5.640 bonds (distance) P-C4' energy: -6.638 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -3.938 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: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -38.996226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.996226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.996226 (E_RNA) where: Base-Base interactions energy: -8.182 where: short stacking energy: -8.182 Base-Backbone interact. energy: -0.100 local terms energy: -30.714048 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -32.967255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.967255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.967255 (E_RNA) where: Base-Base interactions energy: -6.529 where: short stacking energy: -6.529 Base-Backbone interact. energy: -0.091 local terms energy: -26.347436 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -51.303358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.303358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.303358 (E_RNA) where: Base-Base interactions energy: -16.653 where: short stacking energy: -16.653 Base-Backbone interact. energy: -0.000 local terms energy: -34.649932 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -42.358738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.358738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.358738 (E_RNA) where: Base-Base interactions energy: -13.765 where: short stacking energy: -13.536 Base-Backbone interact. energy: -0.195 local terms energy: -28.398308 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -6.091 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: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -43.559610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.559610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.559610 (E_RNA) where: Base-Base interactions energy: -15.522 where: short stacking energy: -15.522 Base-Backbone interact. energy: -0.007 local terms energy: -28.030025 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -1.801 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: 4, replica: 10 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -41.828231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.828231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.828231 (E_RNA) where: Base-Base interactions energy: -11.451 where: short stacking energy: -10.648 Base-Backbone interact. energy: -0.006 local terms energy: -30.371439 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -35.743450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.743450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.743450 (E_RNA) where: Base-Base interactions energy: -10.367 where: short stacking energy: -10.367 Base-Backbone interact. energy: -0.034 local terms energy: -25.342925 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -3.827 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: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -33.841669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.841669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.841669 (E_RNA) where: Base-Base interactions energy: -15.027 where: short stacking energy: -7.853 Base-Backbone interact. energy: -0.117 local terms energy: -18.697520 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: 1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -37.257063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.257063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.257063 (E_RNA) where: Base-Base interactions energy: -10.263 where: short stacking energy: -10.263 Base-Backbone interact. energy: -0.003 local terms energy: -26.990265 where: bonds (distance) C4'-P energy: -3.929 bonds (distance) P-C4' energy: -6.921 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -38.225142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.225142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.225142 (E_RNA) where: Base-Base interactions energy: -11.161 where: short stacking energy: -11.161 Base-Backbone interact. energy: -0.001 local terms energy: -27.063345 where: bonds (distance) C4'-P energy: -4.977 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -33.859030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.859030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.859030 (E_RNA) where: Base-Base interactions energy: -7.376 where: short stacking energy: -7.376 Base-Backbone interact. energy: -0.154 local terms energy: -26.328877 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: 1.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -29.347232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.347232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.347232 (E_RNA) where: Base-Base interactions energy: -3.435 where: short stacking energy: -3.353 Base-Backbone interact. energy: -0.072 local terms energy: -25.840000 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -5.466 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: 1, replica: 6 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -46.161563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.161563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.161563 (E_RNA) where: Base-Base interactions energy: -17.331 where: short stacking energy: -17.331 Base-Backbone interact. energy: -0.000 local terms energy: -28.830104 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -5.214 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: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -36.851679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.851679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.851679 (E_RNA) where: Base-Base interactions energy: -8.865 where: short stacking energy: -8.865 Base-Backbone interact. energy: -0.083 local terms energy: -27.903433 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -5.666 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: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -41.333062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.333062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.333062 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.002 local terms energy: -27.322300 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -45.106471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.106471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.106471 (E_RNA) where: Base-Base interactions energy: -18.264 where: short stacking energy: -16.984 Base-Backbone interact. energy: -0.018 local terms energy: -26.824354 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -4.036 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -1.355 tors. eta vs tors. theta energy: -5.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -39.431276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.431276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.431276 (E_RNA) where: Base-Base interactions energy: -10.889 where: short stacking energy: -10.889 Base-Backbone interact. energy: -0.133 local terms energy: -28.409649 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.158 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -3.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -43.181581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.181581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.181581 (E_RNA) where: Base-Base interactions energy: -14.042 where: short stacking energy: -14.042 Base-Backbone interact. energy: -0.024 local terms energy: -29.115697 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -3.487 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: 7, replica: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -39.623741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.623741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.623741 (E_RNA) where: Base-Base interactions energy: -13.415 where: short stacking energy: -13.415 Base-Backbone interact. energy: -0.002 local terms energy: -26.207665 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -2.442 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: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -36.067126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.067126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.067126 (E_RNA) where: Base-Base interactions energy: -6.308 where: short stacking energy: -6.308 Base-Backbone interact. energy: -1.870 local terms energy: -27.889125 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -5.334 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: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -34.056002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.056002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.056002 (E_RNA) where: Base-Base interactions energy: -7.920 where: short stacking energy: -7.920 Base-Backbone interact. energy: -0.081 local terms energy: -26.054783 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.336 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: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -31.957355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.957355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.957355 (E_RNA) where: Base-Base interactions energy: -10.601 where: short stacking energy: -10.601 Base-Backbone interact. energy: -0.081 local terms energy: -21.275615 where: bonds (distance) C4'-P energy: -5.755 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -1.078 flat angles P-C4'-P energy: -4.830 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: 1, replica: 4 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -39.105010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.105010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.105010 (E_RNA) where: Base-Base interactions energy: -9.242 where: short stacking energy: -9.242 Base-Backbone interact. energy: -0.009 local terms energy: -29.854055 where: bonds (distance) C4'-P energy: -6.165 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -46.821968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.821968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.821968 (E_RNA) where: Base-Base interactions energy: -16.856 where: short stacking energy: -13.383 Base-Backbone interact. energy: -0.025 local terms energy: -29.941321 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -3.121 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: 10 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -41.585293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.585293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.585293 (E_RNA) where: Base-Base interactions energy: -11.418 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.107 local terms energy: -30.060168 where: bonds (distance) C4'-P energy: -6.045 bonds (distance) P-C4' energy: -6.666 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -6.398 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -43.164006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.164006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.164006 (E_RNA) where: Base-Base interactions energy: -13.057 where: short stacking energy: -13.057 Base-Backbone interact. energy: -0.001 local terms energy: -30.106615 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -5.917 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: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -37.166982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.166982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.166982 (E_RNA) where: Base-Base interactions energy: -10.865 where: short stacking energy: -10.865 Base-Backbone interact. energy: -0.100 local terms energy: -26.201316 where: bonds (distance) C4'-P energy: -6.637 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -5.021 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: 1 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -35.124057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.124057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.124057 (E_RNA) where: Base-Base interactions energy: -10.949 where: short stacking energy: -10.949 Base-Backbone interact. energy: -0.077 local terms energy: -24.098083 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -0.901 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: 7, replica: 9 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -35.835531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.835531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.835531 (E_RNA) where: Base-Base interactions energy: -9.243 where: short stacking energy: -9.243 Base-Backbone interact. energy: -0.096 local terms energy: -26.496806 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -32.067410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.067410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.067410 (E_RNA) where: Base-Base interactions energy: -8.662 where: short stacking energy: -8.662 Base-Backbone interact. energy: -0.000 local terms energy: -23.405014 where: bonds (distance) C4'-P energy: -5.569 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: 0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -29.807139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.807139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.807139 (E_RNA) where: Base-Base interactions energy: -5.476 where: short stacking energy: -5.476 Base-Backbone interact. energy: -0.007 local terms energy: -24.324009 where: bonds (distance) C4'-P energy: -5.702 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -1.835 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: 10, replica: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -29.163422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.163422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.163422 (E_RNA) where: Base-Base interactions energy: -3.772 where: short stacking energy: -3.772 Base-Backbone interact. energy: -0.016 local terms energy: -25.375415 where: bonds (distance) C4'-P energy: -5.624 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -42.081243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.081243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.081243 (E_RNA) where: Base-Base interactions energy: -12.050 where: short stacking energy: -12.050 Base-Backbone interact. energy: -0.004 local terms energy: -30.027252 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -5.303 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: 10 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -38.968923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.968923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.968923 (E_RNA) where: Base-Base interactions energy: -11.469 where: short stacking energy: -11.469 Base-Backbone interact. energy: -0.005 local terms energy: -27.494955 where: bonds (distance) C4'-P energy: -6.881 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -5.632 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: 3, replica: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -42.476061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.476061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.476061 (E_RNA) where: Base-Base interactions energy: -14.297 where: short stacking energy: -14.297 Base-Backbone interact. energy: -0.009 local terms energy: -28.170165 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -45.584609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.584609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.584609 (E_RNA) where: Base-Base interactions energy: -18.368 where: short stacking energy: -18.368 Base-Backbone interact. energy: -0.000 local terms energy: -27.216806 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -3.499 flat angles P-C4'-P energy: -4.599 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: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -39.495013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.495013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.495013 (E_RNA) where: Base-Base interactions energy: -10.342 where: short stacking energy: -10.342 Base-Backbone interact. energy: -0.000 local terms energy: -29.152666 where: bonds (distance) C4'-P energy: -5.039 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -5.858 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: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -33.789672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.789672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.789672 (E_RNA) where: Base-Base interactions energy: -6.824 where: short stacking energy: -6.824 Base-Backbone interact. energy: -0.000 local terms energy: -26.965304 where: bonds (distance) C4'-P energy: -7.106 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -5.615 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: 7, replica: 1 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -31.235212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.235212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.235212 (E_RNA) where: Base-Base interactions energy: -6.940 where: short stacking energy: -6.940 Base-Backbone interact. energy: -0.095 local terms energy: -24.200348 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -4.127 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: 8, replica: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -32.146496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.146496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.146496 (E_RNA) where: Base-Base interactions energy: -4.230 where: short stacking energy: -4.230 Base-Backbone interact. energy: -0.003 local terms energy: -27.913685 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -4.685 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: 9, replica: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -30.260397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.260397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.260397 (E_RNA) where: Base-Base interactions energy: -5.281 where: short stacking energy: -5.397 Base-Backbone interact. energy: -0.036 local terms energy: -24.943940 where: bonds (distance) C4'-P energy: -4.265 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -3.399 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: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -31.419438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.419438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.419438 (E_RNA) where: Base-Base interactions energy: -6.724 where: short stacking energy: -6.724 Base-Backbone interact. energy: 0.669 local terms energy: -25.364475 where: bonds (distance) C4'-P energy: -5.677 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -44.385485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.385485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.385485 (E_RNA) where: Base-Base interactions energy: -22.447 where: short stacking energy: -14.037 Base-Backbone interact. energy: -0.025 local terms energy: -21.913433 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -0.822 flat angles P-C4'-P energy: -3.786 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: 2, replica: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -46.472672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.472672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.472672 (E_RNA) where: Base-Base interactions energy: -12.166 where: short stacking energy: -12.166 Base-Backbone interact. energy: -0.499 local terms energy: -33.807248 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -50.330523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.330523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.330523 (E_RNA) where: Base-Base interactions energy: -15.883 where: short stacking energy: -14.712 Base-Backbone interact. energy: -0.008 local terms energy: -34.439726 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -6.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -40.698023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.698023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.698023 (E_RNA) where: Base-Base interactions energy: -13.611 where: short stacking energy: -13.611 Base-Backbone interact. energy: -0.003 local terms energy: -27.083742 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -36.445871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.445871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.445871 (E_RNA) where: Base-Base interactions energy: -11.380 where: short stacking energy: -11.380 Base-Backbone interact. energy: -0.085 local terms energy: -24.980841 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -5.590 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -3.693 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: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -36.423389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.423389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.423389 (E_RNA) where: Base-Base interactions energy: -13.263 where: short stacking energy: -11.887 Base-Backbone interact. energy: -0.193 local terms energy: -22.966824 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -5.881 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -36.247523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.247523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.247523 (E_RNA) where: Base-Base interactions energy: -7.773 where: short stacking energy: -7.773 Base-Backbone interact. energy: -0.159 local terms energy: -28.315375 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -7.973 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: 0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -38.811968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.811968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.811968 (E_RNA) where: Base-Base interactions energy: -12.423 where: short stacking energy: -12.423 Base-Backbone interact. energy: -0.538 local terms energy: -25.851356 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -30.281402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.281402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.281402 (E_RNA) where: Base-Base interactions energy: -8.223 where: short stacking energy: -8.223 Base-Backbone interact. energy: -0.095 local terms energy: -21.963842 where: bonds (distance) C4'-P energy: -4.870 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -2.302 flat angles P-C4'-P energy: -4.380 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: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -31.279696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.279696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.279696 (E_RNA) where: Base-Base interactions energy: -10.712 where: short stacking energy: -8.863 Base-Backbone interact. energy: 0.326 local terms energy: -20.893285 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -53.517165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.517165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.517165 (E_RNA) where: Base-Base interactions energy: -19.259 where: short stacking energy: -19.259 Base-Backbone interact. energy: -0.000 local terms energy: -34.258082 where: bonds (distance) C4'-P energy: -6.244 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -44.224497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.224497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.224497 (E_RNA) where: Base-Base interactions energy: -14.737 where: short stacking energy: -14.737 Base-Backbone interact. energy: -0.012 local terms energy: -29.475912 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -3.781 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: 3, replica: 4 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -43.224101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.224101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.224101 (E_RNA) where: Base-Base interactions energy: -13.501 where: short stacking energy: -13.501 Base-Backbone interact. energy: -0.116 local terms energy: -29.607221 where: bonds (distance) C4'-P energy: -6.546 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -3.936 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: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -39.606298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.606298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.606298 (E_RNA) where: Base-Base interactions energy: -13.834 where: short stacking energy: -13.834 Base-Backbone interact. energy: -0.100 local terms energy: -25.671654 where: bonds (distance) C4'-P energy: -5.556 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -2.305 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -41.205682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.205682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.205682 (E_RNA) where: Base-Base interactions energy: -15.235 where: short stacking energy: -14.714 Base-Backbone interact. energy: -0.112 local terms energy: -25.859045 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -3.934 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.287 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: 6, replica: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -34.669414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.669414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.669414 (E_RNA) where: Base-Base interactions energy: -7.323 where: short stacking energy: -7.323 Base-Backbone interact. energy: -0.025 local terms energy: -27.320666 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -4.043 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: 7, replica: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -33.074123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.074123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.074123 (E_RNA) where: Base-Base interactions energy: -8.597 where: short stacking energy: -6.570 Base-Backbone interact. energy: -0.216 local terms energy: -24.261379 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -1.800 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: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -32.791363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.791363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.791363 (E_RNA) where: Base-Base interactions energy: -7.099 where: short stacking energy: -7.099 Base-Backbone interact. energy: -0.023 local terms energy: -25.669625 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -6.936 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -32.453999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.453999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.453999 (E_RNA) where: Base-Base interactions energy: -7.003 where: short stacking energy: -7.003 Base-Backbone interact. energy: -0.271 local terms energy: -25.179677 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: 0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -32.528676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.528676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.528676 (E_RNA) where: Base-Base interactions energy: -4.922 where: short stacking energy: -4.922 Base-Backbone interact. energy: -0.014 local terms energy: -27.592557 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -6.410 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: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -44.652465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.652465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.652465 (E_RNA) where: Base-Base interactions energy: -11.771 where: short stacking energy: -11.771 Base-Backbone interact. energy: -0.000 local terms energy: -32.881455 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -46.324889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.324889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.324889 (E_RNA) where: Base-Base interactions energy: -13.474 where: short stacking energy: -13.474 Base-Backbone interact. energy: -0.059 local terms energy: -32.791098 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -8.700 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -41.179495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.179495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.179495 (E_RNA) where: Base-Base interactions energy: -11.771 where: short stacking energy: -11.771 Base-Backbone interact. energy: -0.064 local terms energy: -29.345288 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -7.346 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -37.536117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.536117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.536117 (E_RNA) where: Base-Base interactions energy: -9.217 where: short stacking energy: -9.217 Base-Backbone interact. energy: -0.009 local terms energy: -28.309791 where: bonds (distance) C4'-P energy: -6.235 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -6.092 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: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -34.595663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.595663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.595663 (E_RNA) where: Base-Base interactions energy: -5.137 where: short stacking energy: -5.137 Base-Backbone interact. energy: -0.018 local terms energy: -29.440065 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -5.137 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: 6, replica: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -36.119479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.119479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.119479 (E_RNA) where: Base-Base interactions energy: -9.887 where: short stacking energy: -9.887 Base-Backbone interact. energy: -0.006 local terms energy: -26.227145 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -39.698109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.698109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.698109 (E_RNA) where: Base-Base interactions energy: -8.721 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.114 local terms energy: -30.863104 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -3.830 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: 8, replica: 7 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -36.603270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.603270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.603270 (E_RNA) where: Base-Base interactions energy: -8.565 where: short stacking energy: -8.565 Base-Backbone interact. energy: -0.071 local terms energy: -27.967524 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -5.590 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -4.850 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: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -31.984045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.984045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.984045 (E_RNA) where: Base-Base interactions energy: -7.568 where: short stacking energy: -7.568 Base-Backbone interact. energy: -0.010 local terms energy: -24.406217 where: bonds (distance) C4'-P energy: -2.754 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -6.341 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: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -34.840221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.840221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.840221 (E_RNA) where: Base-Base interactions energy: -8.019 where: short stacking energy: -8.019 Base-Backbone interact. energy: -0.015 local terms energy: -26.806103 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -5.144 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: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -42.801469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.801469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.801469 (E_RNA) where: Base-Base interactions energy: -14.199 where: short stacking energy: -14.199 Base-Backbone interact. energy: -0.001 local terms energy: -28.602234 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -3.560 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: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -38.380588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.380588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.380588 (E_RNA) where: Base-Base interactions energy: -9.539 where: short stacking energy: -7.437 Base-Backbone interact. energy: -0.048 local terms energy: -28.793332 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -6.261 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: 3, replica: 10 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -40.636431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.636431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.636431 (E_RNA) where: Base-Base interactions energy: -10.984 where: short stacking energy: -10.984 Base-Backbone interact. energy: 0.505 local terms energy: -30.158176 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -6.376 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: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -42.391205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.391205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.391205 (E_RNA) where: Base-Base interactions energy: -16.444 where: short stacking energy: -10.931 Base-Backbone interact. energy: -0.216 local terms energy: -25.731851 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -5.046 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: 5, replica: 4 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -39.456407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.456407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.456407 (E_RNA) where: Base-Base interactions energy: -10.790 where: short stacking energy: -10.790 Base-Backbone interact. energy: -0.041 local terms energy: -28.625773 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -5.041 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: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -35.094027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.094027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.094027 (E_RNA) where: Base-Base interactions energy: -7.720 where: short stacking energy: -7.720 Base-Backbone interact. energy: -0.060 local terms energy: -27.314717 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -32.189353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.189353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.189353 (E_RNA) where: Base-Base interactions energy: -6.445 where: short stacking energy: -6.445 Base-Backbone interact. energy: -0.000 local terms energy: -25.743921 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -6.280 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -30.440232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.440232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.440232 (E_RNA) where: Base-Base interactions energy: -7.865 where: short stacking energy: -7.865 Base-Backbone interact. energy: -0.204 local terms energy: -22.371205 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -4.709 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: 9, replica: 7 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -35.150443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.150443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.150443 (E_RNA) where: Base-Base interactions energy: -7.092 where: short stacking energy: -7.092 Base-Backbone interact. energy: -0.092 local terms energy: -27.966097 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -2.223 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -32.429350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.429350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.429350 (E_RNA) where: Base-Base interactions energy: -7.113 where: short stacking energy: -5.520 Base-Backbone interact. energy: -0.292 local terms energy: -25.024151 where: bonds (distance) C4'-P energy: -5.908 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -40.301972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.301972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.301972 (E_RNA) where: Base-Base interactions energy: -9.932 where: short stacking energy: -8.210 Base-Backbone interact. energy: -0.165 local terms energy: -30.205346 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -39.192938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.192938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.192938 (E_RNA) where: Base-Base interactions energy: -7.638 where: short stacking energy: -8.776 Base-Backbone interact. energy: -0.359 local terms energy: -31.196237 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -4.774 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: 3, replica: 10 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -41.604169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.604169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.604169 (E_RNA) where: Base-Base interactions energy: -9.083 where: short stacking energy: -9.083 Base-Backbone interact. energy: 0.105 local terms energy: -32.626440 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.594 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -5.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -38.292809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.292809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.292809 (E_RNA) where: Base-Base interactions energy: -11.450 where: short stacking energy: -11.450 Base-Backbone interact. energy: -0.000 local terms energy: -26.843114 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -4.018 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: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -38.191815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.191815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.191815 (E_RNA) where: Base-Base interactions energy: -9.052 where: short stacking energy: -9.052 Base-Backbone interact. energy: -0.025 local terms energy: -29.114328 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -6.375 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -6.536 tors. eta vs tors. theta energy: -4.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -37.219153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.219153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.219153 (E_RNA) where: Base-Base interactions energy: -9.746 where: short stacking energy: -9.746 Base-Backbone interact. energy: -0.001 local terms energy: -27.472884 where: bonds (distance) C4'-P energy: -6.198 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -4.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -37.036243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.036243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.036243 (E_RNA) where: Base-Base interactions energy: -10.601 where: short stacking energy: -10.601 Base-Backbone interact. energy: -0.005 local terms energy: -26.429723 where: bonds (distance) C4'-P energy: -4.360 bonds (distance) P-C4' energy: -6.371 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -6.226 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: 3 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -31.517627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.517627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.517627 (E_RNA) where: Base-Base interactions energy: -7.181 where: short stacking energy: -7.181 Base-Backbone interact. energy: -0.030 local terms energy: -24.306821 where: bonds (distance) C4'-P energy: -4.887 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -33.686492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.686492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.686492 (E_RNA) where: Base-Base interactions energy: -8.363 where: short stacking energy: -8.363 Base-Backbone interact. energy: -0.201 local terms energy: -25.122354 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -36.395988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.395988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.395988 (E_RNA) where: Base-Base interactions energy: -12.880 where: short stacking energy: -12.880 Base-Backbone interact. energy: -0.101 local terms energy: -23.414060 where: bonds (distance) C4'-P energy: -6.235 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -0.433 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: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -48.798570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.798570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.798570 (E_RNA) where: Base-Base interactions energy: -17.635 where: short stacking energy: -17.635 Base-Backbone interact. energy: -0.000 local terms energy: -31.163656 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -7.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -41.661847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.661847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.661847 (E_RNA) where: Base-Base interactions energy: -9.506 where: short stacking energy: -9.506 Base-Backbone interact. energy: -0.097 local terms energy: -32.059166 where: bonds (distance) C4'-P energy: -7.113 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -7.674 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -40.783609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.783609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.783609 (E_RNA) where: Base-Base interactions energy: -16.165 where: short stacking energy: -16.165 Base-Backbone interact. energy: -0.142 local terms energy: -24.476757 where: bonds (distance) C4'-P energy: -5.412 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -41.301487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.301487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.301487 (E_RNA) where: Base-Base interactions energy: -11.790 where: short stacking energy: -11.790 Base-Backbone interact. energy: -0.020 local terms energy: -29.490840 where: bonds (distance) C4'-P energy: -7.138 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -41.251960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.251960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.251960 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.061 local terms energy: -28.574340 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -41.473940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.473940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.473940 (E_RNA) where: Base-Base interactions energy: -14.992 where: short stacking energy: -14.556 Base-Backbone interact. energy: -1.187 local terms energy: -25.294886 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -0.657 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: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -35.138588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.138588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.138588 (E_RNA) where: Base-Base interactions energy: -6.510 where: short stacking energy: -6.510 Base-Backbone interact. energy: -0.057 local terms energy: -28.571740 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -1.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -35.836186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.836186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.836186 (E_RNA) where: Base-Base interactions energy: -7.284 where: short stacking energy: -7.284 Base-Backbone interact. energy: -0.044 local terms energy: -28.508377 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -7.991 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -40.372589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.372589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.372589 (E_RNA) where: Base-Base interactions energy: -12.688 where: short stacking energy: -12.688 Base-Backbone interact. energy: -0.000 local terms energy: -27.684475 where: bonds (distance) C4'-P energy: -5.843 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -2.830 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: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -29.745525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.745525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.745525 (E_RNA) where: Base-Base interactions energy: -11.785 where: short stacking energy: -11.785 Base-Backbone interact. energy: -0.063 local terms energy: -17.897436 where: bonds (distance) C4'-P energy: -3.354 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -2.105 tors. eta vs tors. theta energy: 1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -40.735494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.735494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.735494 (E_RNA) where: Base-Base interactions energy: -10.375 where: short stacking energy: -10.375 Base-Backbone interact. energy: -0.000 local terms energy: -30.360050 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -5.951 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: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -35.873689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.873689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.873689 (E_RNA) where: Base-Base interactions energy: -7.465 where: short stacking energy: -7.465 Base-Backbone interact. energy: -0.000 local terms energy: -28.408069 where: bonds (distance) C4'-P energy: -6.874 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -5.076 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: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -38.100852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.100852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.100852 (E_RNA) where: Base-Base interactions energy: -10.309 where: short stacking energy: -10.309 Base-Backbone interact. energy: -0.434 local terms energy: -27.357702 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -8.700 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -4.812 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: 4, replica: 5 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -37.588692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.588692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.588692 (E_RNA) where: Base-Base interactions energy: -12.002 where: short stacking energy: -12.002 Base-Backbone interact. energy: 0.222 local terms energy: -25.809508 where: bonds (distance) C4'-P energy: -6.468 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -3.134 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: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -39.211174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.211174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.211174 (E_RNA) where: Base-Base interactions energy: -12.111 where: short stacking energy: -12.111 Base-Backbone interact. energy: 0.114 local terms energy: -27.214186 where: bonds (distance) C4'-P energy: -5.855 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -5.044 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: 6, replica: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -35.792557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.792557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.792557 (E_RNA) where: Base-Base interactions energy: -10.431 where: short stacking energy: -10.431 Base-Backbone interact. energy: 0.168 local terms energy: -25.529105 where: bonds (distance) C4'-P energy: -6.600 bonds (distance) P-C4' energy: -6.739 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -4.679 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: 94 Temperature: 1.200000 Total energy: -34.542919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.542919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.542919 (E_RNA) where: Base-Base interactions energy: -7.777 where: short stacking energy: -7.777 Base-Backbone interact. energy: -0.012 local terms energy: -26.754063 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -4.458 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: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -32.058508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.058508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.058508 (E_RNA) where: Base-Base interactions energy: -7.250 where: short stacking energy: -5.430 Base-Backbone interact. energy: -0.146 local terms energy: -24.662338 where: bonds (distance) C4'-P energy: -3.242 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -5.181 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: 9, replica: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -30.350961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.350961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.350961 (E_RNA) where: Base-Base interactions energy: -4.957 where: short stacking energy: -4.957 Base-Backbone interact. energy: -0.154 local terms energy: -25.239439 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: 0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -29.431425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.431425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.431425 (E_RNA) where: Base-Base interactions energy: -9.539 where: short stacking energy: -9.539 Base-Backbone interact. energy: -0.001 local terms energy: -19.891561 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -6.607 flat angles C4'-P-C4' energy: -1.496 flat angles P-C4'-P energy: -5.885 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: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -45.265924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.265924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.265924 (E_RNA) where: Base-Base interactions energy: -14.023 where: short stacking energy: -14.023 Base-Backbone interact. energy: -0.099 local terms energy: -31.144387 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -45.426171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.426171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.426171 (E_RNA) where: Base-Base interactions energy: -11.285 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.000 local terms energy: -34.140782 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -5.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -38.175352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.175352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.175352 (E_RNA) where: Base-Base interactions energy: -13.791 where: short stacking energy: -13.791 Base-Backbone interact. energy: -0.113 local terms energy: -24.271947 where: bonds (distance) C4'-P energy: -2.923 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -5.045 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: 95 Temperature: 1.050000 Total energy: -40.882731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.882731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.882731 (E_RNA) where: Base-Base interactions energy: -11.174 where: short stacking energy: -11.174 Base-Backbone interact. energy: 0.233 local terms energy: -29.941854 where: bonds (distance) C4'-P energy: -5.632 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -5.074 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: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -35.304808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.304808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.304808 (E_RNA) where: Base-Base interactions energy: -9.436 where: short stacking energy: -8.408 Base-Backbone interact. energy: -0.038 local terms energy: -25.830056 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -3.111 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: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -33.755653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.755653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.755653 (E_RNA) where: Base-Base interactions energy: -6.937 where: short stacking energy: -6.937 Base-Backbone interact. energy: -0.000 local terms energy: -26.818218 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -1.919 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: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -38.560323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.560323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.560323 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -8.034 Base-Backbone interact. energy: -0.823 local terms energy: -27.046524 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -32.267884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.267884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.267884 (E_RNA) where: Base-Base interactions energy: -9.946 where: short stacking energy: -6.563 Base-Backbone interact. energy: 0.289 local terms energy: -22.610471 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -3.309 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: 1 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -29.182990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.182990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.182990 (E_RNA) where: Base-Base interactions energy: -3.007 where: short stacking energy: -3.007 Base-Backbone interact. energy: -0.036 local terms energy: -26.139887 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -6.549 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: 3 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -31.405148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405148 (E_RNA) where: Base-Base interactions energy: -6.937 where: short stacking energy: -6.937 Base-Backbone interact. energy: -0.001 local terms energy: -24.467345 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -48.961278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.961278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.961278 (E_RNA) where: Base-Base interactions energy: -15.520 where: short stacking energy: -15.520 Base-Backbone interact. energy: -0.000 local terms energy: -33.441111 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -3.936 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: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -49.611837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.611837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.611837 (E_RNA) where: Base-Base interactions energy: -16.685 where: short stacking energy: -16.685 Base-Backbone interact. energy: -0.151 local terms energy: -32.775363 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -5.127 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: 3, replica: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -43.413896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.413896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.413896 (E_RNA) where: Base-Base interactions energy: -13.649 where: short stacking energy: -13.649 Base-Backbone interact. energy: -0.223 local terms energy: -29.541525 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -6.691 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: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -36.729324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.729324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.729324 (E_RNA) where: Base-Base interactions energy: -10.776 where: short stacking energy: -10.776 Base-Backbone interact. energy: 1.352 local terms energy: -27.305325 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -6.189 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: 5, replica: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -36.024156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.024156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.024156 (E_RNA) where: Base-Base interactions energy: -6.507 where: short stacking energy: -6.507 Base-Backbone interact. energy: -0.089 local terms energy: -29.428473 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.705 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -36.704536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.704536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.704536 (E_RNA) where: Base-Base interactions energy: -10.099 where: short stacking energy: -9.038 Base-Backbone interact. energy: -0.206 local terms energy: -26.399080 where: bonds (distance) C4'-P energy: -5.375 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -5.327 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: 7, replica: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -35.563666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.563666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.563666 (E_RNA) where: Base-Base interactions energy: -12.385 where: short stacking energy: -12.385 Base-Backbone interact. energy: -0.010 local terms energy: -23.168592 where: bonds (distance) C4'-P energy: -5.552 bonds (distance) P-C4' energy: -3.545 flat angles C4'-P-C4' energy: -7.317 flat angles P-C4'-P energy: -5.842 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: 8, replica: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -33.898794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.898794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.898794 (E_RNA) where: Base-Base interactions energy: -6.644 where: short stacking energy: -6.644 Base-Backbone interact. energy: -0.008 local terms energy: -27.247321 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -3.783 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: 9, replica: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -32.120073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.120073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.120073 (E_RNA) where: Base-Base interactions energy: -9.544 where: short stacking energy: -9.544 Base-Backbone interact. energy: -0.228 local terms energy: -22.347593 where: bonds (distance) C4'-P energy: -4.504 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: 1.230 tors. eta vs tors. theta energy: -4.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -31.094831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.094831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.094831 (E_RNA) where: Base-Base interactions energy: -11.870 where: short stacking energy: -11.870 Base-Backbone interact. energy: -0.005 local terms energy: -19.220657 where: bonds (distance) C4'-P energy: -2.360 bonds (distance) P-C4' energy: -6.337 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -45.042342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.042342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.042342 (E_RNA) where: Base-Base interactions energy: -14.292 where: short stacking energy: -14.292 Base-Backbone interact. energy: -0.076 local terms energy: -30.673864 where: bonds (distance) C4'-P energy: -6.617 bonds (distance) P-C4' energy: -6.736 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -45.056927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.056927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.056927 (E_RNA) where: Base-Base interactions energy: -16.265 where: short stacking energy: -16.265 Base-Backbone interact. energy: -0.000 local terms energy: -28.791814 where: bonds (distance) C4'-P energy: -6.029 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -5.203 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: 3, replica: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -47.061950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.061950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.061950 (E_RNA) where: Base-Base interactions energy: -17.233 where: short stacking energy: -17.145 Base-Backbone interact. energy: -0.002 local terms energy: -29.826650 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: -5.565 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: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -37.984035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.984035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.984035 (E_RNA) where: Base-Base interactions energy: -11.174 where: short stacking energy: -11.174 Base-Backbone interact. energy: -0.251 local terms energy: -26.558984 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -5.106 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: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -37.038706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.038706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.038706 (E_RNA) where: Base-Base interactions energy: -11.683 where: short stacking energy: -8.132 Base-Backbone interact. energy: -0.227 local terms energy: -25.129106 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -2.016 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -37.453716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.453716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.453716 (E_RNA) where: Base-Base interactions energy: -8.522 where: short stacking energy: -8.522 Base-Backbone interact. energy: 0.583 local terms energy: -29.515340 where: bonds (distance) C4'-P energy: -6.393 bonds (distance) P-C4' energy: -6.607 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -4.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -36.443223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.443223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.443223 (E_RNA) where: Base-Base interactions energy: -12.850 where: short stacking energy: -11.513 Base-Backbone interact. energy: -0.031 local terms energy: -23.562913 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -5.550 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -1.920 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: 8, replica: 3 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -31.270811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.270811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.270811 (E_RNA) where: Base-Base interactions energy: -7.451 where: short stacking energy: -7.250 Base-Backbone interact. energy: -0.928 local terms energy: -22.892489 where: bonds (distance) C4'-P energy: -2.960 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: 1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -29.238552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.238552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.238552 (E_RNA) where: Base-Base interactions energy: -3.415 where: short stacking energy: -3.415 Base-Backbone interact. energy: -0.014 local terms energy: -25.809617 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: 0.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -29.149231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.149231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.149231 (E_RNA) where: Base-Base interactions energy: -7.576 where: short stacking energy: -7.576 Base-Backbone interact. energy: -0.000 local terms energy: -21.573138 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -1.032 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -41.745129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.745129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.745129 (E_RNA) where: Base-Base interactions energy: -13.561 where: short stacking energy: -13.561 Base-Backbone interact. energy: -0.142 local terms energy: -28.042044 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -6.581 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: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -46.840512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.840512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.840512 (E_RNA) where: Base-Base interactions energy: -14.657 where: short stacking energy: -13.969 Base-Backbone interact. energy: -0.049 local terms energy: -32.134332 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -7.956 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -37.082095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.082095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.082095 (E_RNA) where: Base-Base interactions energy: -8.775 where: short stacking energy: -7.384 Base-Backbone interact. energy: -0.208 local terms energy: -28.099005 where: bonds (distance) C4'-P energy: -5.801 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -6.380 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: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -39.237788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.237788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.237788 (E_RNA) where: Base-Base interactions energy: -10.919 where: short stacking energy: -10.919 Base-Backbone interact. energy: -0.001 local terms energy: -28.317279 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.206 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -5.316 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: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -36.112686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.112686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.112686 (E_RNA) where: Base-Base interactions energy: -9.459 where: short stacking energy: -9.459 Base-Backbone interact. energy: -0.041 local terms energy: -26.613021 where: bonds (distance) C4'-P energy: -6.029 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -6.100 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: 6, replica: 9 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -34.337395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.337395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.337395 (E_RNA) where: Base-Base interactions energy: -9.321 where: short stacking energy: -9.321 Base-Backbone interact. energy: -0.094 local terms energy: -24.922925 where: bonds (distance) C4'-P energy: -5.904 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -31.405075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405075 (E_RNA) where: Base-Base interactions energy: -3.281 where: short stacking energy: -3.281 Base-Backbone interact. energy: -0.072 local terms energy: -28.052661 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -7.301 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -29.173389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.173389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.173389 (E_RNA) where: Base-Base interactions energy: -2.991 where: short stacking energy: -2.991 Base-Backbone interact. energy: -0.277 local terms energy: -25.905361 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: 1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -30.180198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.180198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.180198 (E_RNA) where: Base-Base interactions energy: -3.737 where: short stacking energy: -4.145 Base-Backbone interact. energy: -0.078 local terms energy: -26.365231 where: bonds (distance) C4'-P energy: -5.197 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -30.702169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.702169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.702169 (E_RNA) where: Base-Base interactions energy: -6.003 where: short stacking energy: -6.003 Base-Backbone interact. energy: -0.020 local terms energy: -24.678750 where: bonds (distance) C4'-P energy: -6.190 bonds (distance) P-C4' energy: -6.180 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -5.535 tors. eta vs tors. theta energy: -1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -44.840642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.840642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.840642 (E_RNA) where: Base-Base interactions energy: -13.832 where: short stacking energy: -13.832 Base-Backbone interact. energy: -0.000 local terms energy: -31.008133 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -6.958 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: 10 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -43.846146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.846146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.846146 (E_RNA) where: Base-Base interactions energy: -14.018 where: short stacking energy: -14.018 Base-Backbone interact. energy: -0.097 local terms energy: -29.731208 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -4.775 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: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -43.629086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.629086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.629086 (E_RNA) where: Base-Base interactions energy: -12.645 where: short stacking energy: -12.645 Base-Backbone interact. energy: -0.069 local terms energy: -30.915601 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -3.325 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: 5 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -40.289203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.289203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.289203 (E_RNA) where: Base-Base interactions energy: -10.536 where: short stacking energy: -10.536 Base-Backbone interact. energy: -0.000 local terms energy: -29.752536 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -5.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -39.904746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.904746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.904746 (E_RNA) where: Base-Base interactions energy: -13.222 where: short stacking energy: -12.168 Base-Backbone interact. energy: 0.615 local terms energy: -27.297682 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -6.328 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -2.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -31.098306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.098306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.098306 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.059 local terms energy: -23.914070 where: bonds (distance) C4'-P energy: -7.871 bonds (distance) P-C4' energy: -3.977 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -6.705 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: 9 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -42.010245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.010245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.010245 (E_RNA) where: Base-Base interactions energy: -13.726 where: short stacking energy: -13.726 Base-Backbone interact. energy: -0.089 local terms energy: -28.195568 where: bonds (distance) C4'-P energy: -5.825 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -4.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -32.716324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.716324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.716324 (E_RNA) where: Base-Base interactions energy: -9.544 where: short stacking energy: -9.544 Base-Backbone interact. energy: -1.055 local terms energy: -22.117024 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -2.583 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: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -32.293124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.293124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.293124 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.087 local terms energy: -24.260055 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -30.433062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.433062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.433062 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.082 local terms energy: -23.039310 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -5.610 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: 1, replica: 10 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -44.726442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.726442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.726442 (E_RNA) where: Base-Base interactions energy: -12.477 where: short stacking energy: -12.477 Base-Backbone interact. energy: -0.000 local terms energy: -32.249002 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -6.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -39.865082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.865082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.865082 (E_RNA) where: Base-Base interactions energy: -11.568 where: short stacking energy: -11.454 Base-Backbone interact. energy: -0.099 local terms energy: -28.197735 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -6.862 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -5.411 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: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -37.075093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.075093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.075093 (E_RNA) where: Base-Base interactions energy: -8.835 where: short stacking energy: -8.835 Base-Backbone interact. energy: -0.358 local terms energy: -27.882143 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -5.685 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: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -32.855573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.855573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.855573 (E_RNA) where: Base-Base interactions energy: -9.297 where: short stacking energy: -9.297 Base-Backbone interact. energy: -0.091 local terms energy: -23.468105 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -0.886 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: 5, replica: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -42.059956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.059956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.059956 (E_RNA) where: Base-Base interactions energy: -13.761 where: short stacking energy: -13.761 Base-Backbone interact. energy: -0.088 local terms energy: -28.211162 where: bonds (distance) C4'-P energy: -5.817 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.117 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: 6, replica: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -36.106477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.106477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.106477 (E_RNA) where: Base-Base interactions energy: -6.869 where: short stacking energy: -6.869 Base-Backbone interact. energy: -0.000 local terms energy: -29.236920 where: bonds (distance) C4'-P energy: -5.230 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -39.539162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.539162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.539162 (E_RNA) where: Base-Base interactions energy: -9.678 where: short stacking energy: -9.136 Base-Backbone interact. energy: -0.054 local terms energy: -29.806869 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.010 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: 8, replica: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -30.464339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.464339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.464339 (E_RNA) where: Base-Base interactions energy: -6.603 where: short stacking energy: -6.603 Base-Backbone interact. energy: -0.008 local terms energy: -23.853275 where: bonds (distance) C4'-P energy: -6.820 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -3.864 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: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -33.310915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.310915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.310915 (E_RNA) where: Base-Base interactions energy: -5.477 where: short stacking energy: -5.477 Base-Backbone interact. energy: -0.018 local terms energy: -27.815599 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -5.693 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -33.645117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.645117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.645117 (E_RNA) where: Base-Base interactions energy: -8.917 where: short stacking energy: -8.917 Base-Backbone interact. energy: -0.083 local terms energy: -24.644457 where: bonds (distance) C4'-P energy: -6.641 bonds (distance) P-C4' energy: -5.340 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -5.187 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: 1, replica: 10 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -42.043853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.043853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.043853 (E_RNA) where: Base-Base interactions energy: -17.489 where: short stacking energy: -15.016 Base-Backbone interact. energy: -0.893 local terms energy: -23.661103 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -43.494609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.494609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.494609 (E_RNA) where: Base-Base interactions energy: -10.511 where: short stacking energy: -10.511 Base-Backbone interact. energy: -0.000 local terms energy: -32.983586 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -8.258 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -43.126612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.126612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.126612 (E_RNA) where: Base-Base interactions energy: -18.713 where: short stacking energy: -14.629 Base-Backbone interact. energy: -0.002 local terms energy: -24.411694 where: bonds (distance) C4'-P energy: -4.406 bonds (distance) P-C4' energy: -5.215 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -4.678 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: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -37.368833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.368833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.368833 (E_RNA) where: Base-Base interactions energy: -10.678 where: short stacking energy: -10.678 Base-Backbone interact. energy: -0.004 local terms energy: -26.686127 where: bonds (distance) C4'-P energy: -4.149 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.777 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: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -36.708091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.708091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.708091 (E_RNA) where: Base-Base interactions energy: -11.862 where: short stacking energy: -11.862 Base-Backbone interact. energy: -0.033 local terms energy: -24.812560 where: bonds (distance) C4'-P energy: -3.814 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -2.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -36.531876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.531876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.531876 (E_RNA) where: Base-Base interactions energy: -11.355 where: short stacking energy: -11.355 Base-Backbone interact. energy: -0.014 local terms energy: -25.162883 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -35.299036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.299036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.299036 (E_RNA) where: Base-Base interactions energy: -8.041 where: short stacking energy: -8.041 Base-Backbone interact. energy: -0.069 local terms energy: -27.188337 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -5.163 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -5.005 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: 8, replica: 2 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -32.006630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.006630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.006630 (E_RNA) where: Base-Base interactions energy: -6.878 where: short stacking energy: -6.878 Base-Backbone interact. energy: -0.088 local terms energy: -25.040075 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -4.698 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: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -34.928164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.928164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.928164 (E_RNA) where: Base-Base interactions energy: -7.646 where: short stacking energy: -7.646 Base-Backbone interact. energy: -0.008 local terms energy: -27.274183 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -5.848 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -5.637 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: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -30.677850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.677850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.677850 (E_RNA) where: Base-Base interactions energy: -3.893 where: short stacking energy: -3.893 Base-Backbone interact. energy: -0.000 local terms energy: -26.784393 where: bonds (distance) C4'-P energy: -5.213 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -8.166 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -41.951650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.951650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.951650 (E_RNA) where: Base-Base interactions energy: -10.540 where: short stacking energy: -10.540 Base-Backbone interact. energy: -0.018 local terms energy: -31.393882 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -6.608 tors. eta vs tors. theta energy: -3.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -37.622464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.622464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.622464 (E_RNA) where: Base-Base interactions energy: -8.159 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.001 local terms energy: -29.462280 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -4.043 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: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -43.923381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.923381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.923381 (E_RNA) where: Base-Base interactions energy: -14.724 where: short stacking energy: -12.741 Base-Backbone interact. energy: -0.175 local terms energy: -29.024437 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -5.255 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: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -35.911918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.911918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.911918 (E_RNA) where: Base-Base interactions energy: -9.174 where: short stacking energy: -9.174 Base-Backbone interact. energy: -0.003 local terms energy: -26.735555 where: bonds (distance) C4'-P energy: -5.035 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -5.714 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: 5, replica: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -35.979390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.979390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.979390 (E_RNA) where: Base-Base interactions energy: -9.569 where: short stacking energy: -9.569 Base-Backbone interact. energy: -0.045 local terms energy: -26.365461 where: bonds (distance) C4'-P energy: -6.273 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.391 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: 6, replica: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -41.341626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.341626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.341626 (E_RNA) where: Base-Base interactions energy: -11.433 where: short stacking energy: -11.433 Base-Backbone interact. energy: -0.000 local terms energy: -29.908404 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -40.101083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.101083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.101083 (E_RNA) where: Base-Base interactions energy: -13.791 where: short stacking energy: -13.791 Base-Backbone interact. energy: -0.078 local terms energy: -26.231456 where: bonds (distance) C4'-P energy: -5.933 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -5.034 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: 8, replica: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -33.506013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.506013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.506013 (E_RNA) where: Base-Base interactions energy: -7.811 where: short stacking energy: -7.811 Base-Backbone interact. energy: -0.097 local terms energy: -25.598232 where: bonds (distance) C4'-P energy: -3.458 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -6.548 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: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -33.028288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.028288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.028288 (E_RNA) where: Base-Base interactions energy: -4.692 where: short stacking energy: -4.692 Base-Backbone interact. energy: -0.024 local terms energy: -28.311814 where: bonds (distance) C4'-P energy: -4.692 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -4.392 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: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -32.156789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.156789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.156789 (E_RNA) where: Base-Base interactions energy: -5.884 where: short stacking energy: -5.884 Base-Backbone interact. energy: -0.185 local terms energy: -26.087715 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -4.699 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: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -43.738823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.738823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.738823 (E_RNA) where: Base-Base interactions energy: -14.967 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.044 local terms energy: -28.727880 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -4.524 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: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -48.780699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.780699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.780699 (E_RNA) where: Base-Base interactions energy: -17.002 where: short stacking energy: -17.002 Base-Backbone interact. energy: -0.001 local terms energy: -31.778333 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -6.862 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: 3, replica: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -37.610219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.610219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.610219 (E_RNA) where: Base-Base interactions energy: -13.343 where: short stacking energy: -13.531 Base-Backbone interact. energy: -0.114 local terms energy: -24.152764 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -3.697 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: 4, replica: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -40.277975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.277975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.277975 (E_RNA) where: Base-Base interactions energy: -8.920 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.110 local terms energy: -31.248321 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -4.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -41.280442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.280442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.280442 (E_RNA) where: Base-Base interactions energy: -11.015 where: short stacking energy: -11.015 Base-Backbone interact. energy: -0.003 local terms energy: -30.263332 where: bonds (distance) C4'-P energy: -4.741 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -6.187 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: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -36.426772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.426772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.426772 (E_RNA) where: Base-Base interactions energy: -5.780 where: short stacking energy: -5.898 Base-Backbone interact. energy: -0.016 local terms energy: -30.631000 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -4.529 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: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -39.571163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.571163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.571163 (E_RNA) where: Base-Base interactions energy: -14.173 where: short stacking energy: -14.173 Base-Backbone interact. energy: -0.008 local terms energy: -25.390405 where: bonds (distance) C4'-P energy: -6.815 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -3.245 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: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -31.737692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.737692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.737692 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.610 Base-Backbone interact. energy: -0.275 local terms energy: -23.852518 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -3.284 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: 9, replica: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -35.335060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.335060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.335060 (E_RNA) where: Base-Base interactions energy: -7.934 where: short stacking energy: -7.934 Base-Backbone interact. energy: -0.147 local terms energy: -27.254126 where: bonds (distance) C4'-P energy: -6.352 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -0.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -33.099053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.099053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.099053 (E_RNA) where: Base-Base interactions energy: -9.279 where: short stacking energy: -9.279 Base-Backbone interact. energy: -0.002 local terms energy: -23.818404 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -48.959966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.959966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.959966 (E_RNA) where: Base-Base interactions energy: -15.947 where: short stacking energy: -15.947 Base-Backbone interact. energy: -0.005 local terms energy: -33.008544 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -5.595 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: 2, replica: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -41.827004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.827004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.827004 (E_RNA) where: Base-Base interactions energy: -10.845 where: short stacking energy: -10.845 Base-Backbone interact. energy: -0.023 local terms energy: -30.959024 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -43.796672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.796672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.796672 (E_RNA) where: Base-Base interactions energy: -13.967 where: short stacking energy: -13.967 Base-Backbone interact. energy: -0.093 local terms energy: -29.736879 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -35.762807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.762807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.762807 (E_RNA) where: Base-Base interactions energy: -7.253 where: short stacking energy: -7.253 Base-Backbone interact. energy: -0.006 local terms energy: -28.503769 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -40.483136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.483136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.483136 (E_RNA) where: Base-Base interactions energy: -9.806 where: short stacking energy: -9.806 Base-Backbone interact. energy: -0.084 local terms energy: -30.592978 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.709 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -4.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -33.315232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.315232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.315232 (E_RNA) where: Base-Base interactions energy: -6.106 where: short stacking energy: -6.106 Base-Backbone interact. energy: -0.081 local terms energy: -27.128298 where: bonds (distance) C4'-P energy: -5.019 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -5.599 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: 7, replica: 1 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -36.427400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.427400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.427400 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: 0.734 local terms energy: -30.381031 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -31.068212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.068212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.068212 (E_RNA) where: Base-Base interactions energy: -3.217 where: short stacking energy: -3.217 Base-Backbone interact. energy: -1.388 local terms energy: -26.462510 where: bonds (distance) C4'-P energy: -5.950 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: 0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -28.938772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.938772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.938772 (E_RNA) where: Base-Base interactions energy: -10.852 where: short stacking energy: -10.852 Base-Backbone interact. energy: -0.424 local terms energy: -17.662671 where: bonds (distance) C4'-P energy: -4.211 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -0.633 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: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -34.692142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.692142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.692142 (E_RNA) where: Base-Base interactions energy: -10.592 where: short stacking energy: -10.592 Base-Backbone interact. energy: -0.080 local terms energy: -24.020138 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -4.680 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: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -44.431029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.431029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.431029 (E_RNA) where: Base-Base interactions energy: -14.592 where: short stacking energy: -14.592 Base-Backbone interact. energy: -0.016 local terms energy: -29.822849 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -8.265 flat angles P-C4'-P energy: -2.469 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: 2, replica: 10 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -47.510203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.510203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.510203 (E_RNA) where: Base-Base interactions energy: -18.413 where: short stacking energy: -18.413 Base-Backbone interact. energy: -0.000 local terms energy: -29.097228 where: bonds (distance) C4'-P energy: -6.402 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -42.636716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.636716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.636716 (E_RNA) where: Base-Base interactions energy: -12.984 where: short stacking energy: -12.984 Base-Backbone interact. energy: -0.000 local terms energy: -29.652154 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -43.146516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.146516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.146516 (E_RNA) where: Base-Base interactions energy: -12.863 where: short stacking energy: -12.863 Base-Backbone interact. energy: -0.140 local terms energy: -30.144090 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -6.398 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -38.645853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.645853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.645853 (E_RNA) where: Base-Base interactions energy: -12.511 where: short stacking energy: -12.511 Base-Backbone interact. energy: -0.040 local terms energy: -26.094652 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -4.141 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: 6, replica: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -36.120069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.120069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.120069 (E_RNA) where: Base-Base interactions energy: -7.995 where: short stacking energy: -7.995 Base-Backbone interact. energy: -0.000 local terms energy: -28.124927 where: bonds (distance) C4'-P energy: -5.926 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -4.712 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: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -41.673360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.673360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.673360 (E_RNA) where: Base-Base interactions energy: -13.224 where: short stacking energy: -13.224 Base-Backbone interact. energy: -0.000 local terms energy: -28.449675 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -5.629 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: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -36.110317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.110317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.110317 (E_RNA) where: Base-Base interactions energy: -6.285 where: short stacking energy: -6.285 Base-Backbone interact. energy: -0.001 local terms energy: -29.824147 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -30.861198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.861198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.861198 (E_RNA) where: Base-Base interactions energy: -5.127 where: short stacking energy: -5.127 Base-Backbone interact. energy: -0.311 local terms energy: -25.423806 where: bonds (distance) C4'-P energy: -5.159 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -29.334618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.334618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.334618 (E_RNA) where: Base-Base interactions energy: -5.370 where: short stacking energy: -5.370 Base-Backbone interact. energy: -0.008 local terms energy: -23.957153 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -2.502 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: 1, replica: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -42.247647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.247647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.247647 (E_RNA) where: Base-Base interactions energy: -14.752 where: short stacking energy: -14.752 Base-Backbone interact. energy: -0.032 local terms energy: -27.463565 where: bonds (distance) C4'-P energy: -6.624 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -3.148 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: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -47.431790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.431790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.431790 (E_RNA) where: Base-Base interactions energy: -16.118 where: short stacking energy: -16.118 Base-Backbone interact. energy: -0.000 local terms energy: -31.313980 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -6.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -45.437854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.437854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.437854 (E_RNA) where: Base-Base interactions energy: -21.523 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.091 local terms energy: -23.823869 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: 0.768 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: 4, replica: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -36.828709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.828709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.828709 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.001 local terms energy: -25.602642 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -4.139 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: 5, replica: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -38.550505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.550505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.550505 (E_RNA) where: Base-Base interactions energy: -9.700 where: short stacking energy: -10.047 Base-Backbone interact. energy: -0.009 local terms energy: -28.840890 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -8.114 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -1.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -34.034190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.034190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.034190 (E_RNA) where: Base-Base interactions energy: -7.116 where: short stacking energy: -7.116 Base-Backbone interact. energy: 0.346 local terms energy: -27.264086 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -7.224 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -7.017 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: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -37.126863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.126863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.126863 (E_RNA) where: Base-Base interactions energy: -10.180 where: short stacking energy: -10.180 Base-Backbone interact. energy: -0.121 local terms energy: -26.826110 where: bonds (distance) C4'-P energy: -5.486 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -5.779 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: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -31.194159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.194159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.194159 (E_RNA) where: Base-Base interactions energy: -11.464 where: short stacking energy: -9.930 Base-Backbone interact. energy: 0.182 local terms energy: -19.911222 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -3.272 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -3.833 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: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -36.042397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.042397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.042397 (E_RNA) where: Base-Base interactions energy: -8.682 where: short stacking energy: -8.682 Base-Backbone interact. energy: -0.001 local terms energy: -27.359496 where: bonds (distance) C4'-P energy: -6.563 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -5.460 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: 10, replica: 2 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -31.455844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.455844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.455844 (E_RNA) where: Base-Base interactions energy: -6.156 where: short stacking energy: -3.374 Base-Backbone interact. energy: -0.203 local terms energy: -25.097203 where: bonds (distance) C4'-P energy: -4.443 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -5.911 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: 1, replica: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -39.157305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.157305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.157305 (E_RNA) where: Base-Base interactions energy: -8.304 where: short stacking energy: -8.304 Base-Backbone interact. energy: -0.190 local terms energy: -30.663099 where: bonds (distance) C4'-P energy: -5.822 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -6.243 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -43.909385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.909385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.909385 (E_RNA) where: Base-Base interactions energy: -14.654 where: short stacking energy: -14.654 Base-Backbone interact. energy: -0.082 local terms energy: -29.173098 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -37.515729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.515729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.515729 (E_RNA) where: Base-Base interactions energy: -8.220 where: short stacking energy: -8.220 Base-Backbone interact. energy: -0.272 local terms energy: -29.023830 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -2.305 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: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -39.193739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.193739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.193739 (E_RNA) where: Base-Base interactions energy: -11.599 where: short stacking energy: -11.599 Base-Backbone interact. energy: -0.022 local terms energy: -27.572791 where: bonds (distance) C4'-P energy: -5.019 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -6.243 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: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -37.645274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.645274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.645274 (E_RNA) where: Base-Base interactions energy: -12.215 where: short stacking energy: -12.215 Base-Backbone interact. energy: -0.001 local terms energy: -25.429248 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -5.464 flat angles C4'-P-C4' energy: -3.189 flat angles P-C4'-P energy: -6.295 tors. eta vs tors. theta energy: -5.236 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: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -37.059405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.059405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.059405 (E_RNA) where: Base-Base interactions energy: -14.125 where: short stacking energy: -13.662 Base-Backbone interact. energy: -0.101 local terms energy: -22.833323 where: bonds (distance) C4'-P energy: -5.429 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -1.182 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: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -30.051815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.051815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.051815 (E_RNA) where: Base-Base interactions energy: -3.136 where: short stacking energy: -1.445 Base-Backbone interact. energy: -0.000 local terms energy: -26.915450 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -3.887 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: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -36.258324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.258324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.258324 (E_RNA) where: Base-Base interactions energy: -7.336 where: short stacking energy: -7.336 Base-Backbone interact. energy: -0.000 local terms energy: -28.922766 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.139 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -27.554245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.554245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.554245 (E_RNA) where: Base-Base interactions energy: -1.326 where: short stacking energy: -1.081 Base-Backbone interact. energy: -0.002 local terms energy: -26.225687 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -5.343 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: 10, replica: 2 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -32.177908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.177908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.177908 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -6.888 Base-Backbone interact. energy: -0.025 local terms energy: -24.347587 where: bonds (distance) C4'-P energy: -6.931 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -3.046 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: 1, replica: 6 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -44.153302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.153302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.153302 (E_RNA) where: Base-Base interactions energy: -13.959 where: short stacking energy: -13.959 Base-Backbone interact. energy: -0.020 local terms energy: -30.174884 where: bonds (distance) C4'-P energy: -6.401 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -6.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -40.246280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.246280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.246280 (E_RNA) where: Base-Base interactions energy: -13.165 where: short stacking energy: -13.165 Base-Backbone interact. energy: -0.112 local terms energy: -26.968901 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -2.010 flat angles P-C4'-P energy: -6.208 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: 108 Temperature: 1.000000 Total energy: -37.831372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.831372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.831372 (E_RNA) where: Base-Base interactions energy: -9.215 where: short stacking energy: -9.215 Base-Backbone interact. energy: -0.112 local terms energy: -28.504253 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -2.849 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: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -37.727830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.727830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.727830 (E_RNA) where: Base-Base interactions energy: -14.772 where: short stacking energy: -11.473 Base-Backbone interact. energy: 0.613 local terms energy: -23.567962 where: bonds (distance) C4'-P energy: -6.306 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -4.214 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: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -37.978448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.978448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.978448 (E_RNA) where: Base-Base interactions energy: -8.006 where: short stacking energy: -7.094 Base-Backbone interact. energy: -0.075 local terms energy: -29.897637 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -33.618247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.618247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.618247 (E_RNA) where: Base-Base interactions energy: -10.058 where: short stacking energy: -10.058 Base-Backbone interact. energy: -0.093 local terms energy: -23.466706 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -3.207 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: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -34.881741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.881741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.881741 (E_RNA) where: Base-Base interactions energy: -5.874 where: short stacking energy: -5.982 Base-Backbone interact. energy: -0.143 local terms energy: -28.864862 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -5.503 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: 8, replica: 7 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -38.506852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.506852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.506852 (E_RNA) where: Base-Base interactions energy: -10.100 where: short stacking energy: -10.400 Base-Backbone interact. energy: -0.152 local terms energy: -28.254155 where: bonds (distance) C4'-P energy: -5.913 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -5.612 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: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -35.510457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.510457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.510457 (E_RNA) where: Base-Base interactions energy: -6.977 where: short stacking energy: -6.977 Base-Backbone interact. energy: -0.010 local terms energy: -28.523429 where: bonds (distance) C4'-P energy: -6.882 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -6.329 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: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -29.529367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.529367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.529367 (E_RNA) where: Base-Base interactions energy: -6.740 where: short stacking energy: -6.740 Base-Backbone interact. energy: 0.088 local terms energy: -22.877838 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -1.495 tors. eta vs tors. theta energy: 1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -36.618677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.618677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.618677 (E_RNA) where: Base-Base interactions energy: -6.318 where: short stacking energy: -6.318 Base-Backbone interact. energy: -0.021 local terms energy: -30.280098 where: bonds (distance) C4'-P energy: -7.440 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -8.656 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -42.519356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.519356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.519356 (E_RNA) where: Base-Base interactions energy: -13.508 where: short stacking energy: -12.213 Base-Backbone interact. energy: -0.007 local terms energy: -29.004264 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -5.960 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: 109 Temperature: 1.000000 Total energy: -39.192944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.192944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.192944 (E_RNA) where: Base-Base interactions energy: -11.840 where: short stacking energy: -9.967 Base-Backbone interact. energy: -0.032 local terms energy: -27.320970 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -3.783 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: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -34.665197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.665197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.665197 (E_RNA) where: Base-Base interactions energy: -7.063 where: short stacking energy: -7.063 Base-Backbone interact. energy: -0.040 local terms energy: -27.561840 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: 1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -37.475101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.475101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.475101 (E_RNA) where: Base-Base interactions energy: -11.493 where: short stacking energy: -11.192 Base-Backbone interact. energy: -1.118 local terms energy: -24.863929 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -4.824 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -35.967891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.967891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.967891 (E_RNA) where: Base-Base interactions energy: -11.797 where: short stacking energy: -11.797 Base-Backbone interact. energy: -0.001 local terms energy: -24.170210 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -1.587 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: 7, replica: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -31.618357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.618357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.618357 (E_RNA) where: Base-Base interactions energy: -6.645 where: short stacking energy: -6.645 Base-Backbone interact. energy: -0.023 local terms energy: -24.950108 where: bonds (distance) C4'-P energy: -4.345 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -1.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -36.330610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.330610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.330610 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.000 local terms energy: -27.791974 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -36.857829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.857829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.857829 (E_RNA) where: Base-Base interactions energy: -7.719 where: short stacking energy: -7.719 Base-Backbone interact. energy: 0.458 local terms energy: -29.597547 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -3.247 flat angles P-C4'-P energy: -6.484 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: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -34.508041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.508041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.508041 (E_RNA) where: Base-Base interactions energy: -10.961 where: short stacking energy: -10.961 Base-Backbone interact. energy: -0.101 local terms energy: -23.446513 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -4.638 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: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -45.989356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.989356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.989356 (E_RNA) where: Base-Base interactions energy: -12.632 where: short stacking energy: -11.548 Base-Backbone interact. energy: -0.103 local terms energy: -33.254320 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -6.014 tors. eta vs tors. theta energy: -4.393 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: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -46.894629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.894629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.894629 (E_RNA) where: Base-Base interactions energy: -13.768 where: short stacking energy: -13.768 Base-Backbone interact. energy: -0.028 local terms energy: -33.098984 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: -6.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -40.484520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.484520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.484520 (E_RNA) where: Base-Base interactions energy: -10.748 where: short stacking energy: -10.748 Base-Backbone interact. energy: -0.001 local terms energy: -29.736076 where: bonds (distance) C4'-P energy: -7.263 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -37.951527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.951527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.951527 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.958 local terms energy: -25.295712 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -3.436 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: 5, replica: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -36.515128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.515128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.515128 (E_RNA) where: Base-Base interactions energy: -10.213 where: short stacking energy: -10.213 Base-Backbone interact. energy: -0.016 local terms energy: -26.286265 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -37.914261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.914261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.914261 (E_RNA) where: Base-Base interactions energy: -10.010 where: short stacking energy: -10.010 Base-Backbone interact. energy: -0.001 local terms energy: -27.903706 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -3.884 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -4.982 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: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -35.211384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.211384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.211384 (E_RNA) where: Base-Base interactions energy: -6.829 where: short stacking energy: -6.829 Base-Backbone interact. energy: -0.002 local terms energy: -28.380344 where: bonds (distance) C4'-P energy: -7.138 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -38.846637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.846637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.846637 (E_RNA) where: Base-Base interactions energy: -11.117 where: short stacking energy: -10.570 Base-Backbone interact. energy: -0.089 local terms energy: -27.640199 where: bonds (distance) C4'-P energy: -6.306 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -7.861 flat angles P-C4'-P energy: -3.469 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: 9, replica: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -33.116130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.116130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.116130 (E_RNA) where: Base-Base interactions energy: -8.825 where: short stacking energy: -7.634 Base-Backbone interact. energy: -0.064 local terms energy: -24.227100 where: bonds (distance) C4'-P energy: -3.565 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: 0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -33.538141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.538141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.538141 (E_RNA) where: Base-Base interactions energy: -9.595 where: short stacking energy: -9.595 Base-Backbone interact. energy: -0.422 local terms energy: -23.520640 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -4.323 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -4.154 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: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -45.450056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.450056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.450056 (E_RNA) where: Base-Base interactions energy: -14.136 where: short stacking energy: -14.136 Base-Backbone interact. energy: -0.026 local terms energy: -31.288241 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -6.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -43.894069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.894069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.894069 (E_RNA) where: Base-Base interactions energy: -11.835 where: short stacking energy: -11.292 Base-Backbone interact. energy: 0.456 local terms energy: -32.514413 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -42.918919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.918919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.918919 (E_RNA) where: Base-Base interactions energy: -11.604 where: short stacking energy: -11.604 Base-Backbone interact. energy: -0.004 local terms energy: -31.310735 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -5.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -47.818765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.818765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.818765 (E_RNA) where: Base-Base interactions energy: -16.764 where: short stacking energy: -16.764 Base-Backbone interact. energy: -0.002 local terms energy: -31.053365 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -5.215 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: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -36.625643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.625643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.625643 (E_RNA) where: Base-Base interactions energy: -8.170 where: short stacking energy: -8.170 Base-Backbone interact. energy: -0.002 local terms energy: -28.454079 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -5.678 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: 6, replica: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -34.634098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.634098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.634098 (E_RNA) where: Base-Base interactions energy: -7.270 where: short stacking energy: -7.270 Base-Backbone interact. energy: -0.026 local terms energy: -27.338111 where: bonds (distance) C4'-P energy: -4.940 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -37.434244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.434244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.434244 (E_RNA) where: Base-Base interactions energy: -9.241 where: short stacking energy: -9.241 Base-Backbone interact. energy: -0.094 local terms energy: -28.098935 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -5.604 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: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -36.755200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.755200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.755200 (E_RNA) where: Base-Base interactions energy: -9.927 where: short stacking energy: -9.927 Base-Backbone interact. energy: -0.000 local terms energy: -26.828534 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -3.086 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: 9, replica: 5 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -32.190783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.190783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.190783 (E_RNA) where: Base-Base interactions energy: -4.462 where: short stacking energy: -4.462 Base-Backbone interact. energy: -0.907 local terms energy: -26.821755 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -5.699 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: 10, replica: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -32.867911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.867911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.867911 (E_RNA) where: Base-Base interactions energy: -7.348 where: short stacking energy: -7.348 Base-Backbone interact. energy: -0.046 local terms energy: -25.473991 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -1.585 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -44.573663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.573663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.573663 (E_RNA) where: Base-Base interactions energy: -11.568 where: short stacking energy: -11.568 Base-Backbone interact. energy: -0.001 local terms energy: -33.004180 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -5.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -41.959359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.959359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.959359 (E_RNA) where: Base-Base interactions energy: -12.538 where: short stacking energy: -12.538 Base-Backbone interact. energy: -0.164 local terms energy: -29.258195 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -3.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -43.515296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.515296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.515296 (E_RNA) where: Base-Base interactions energy: -15.239 where: short stacking energy: -15.239 Base-Backbone interact. energy: -0.018 local terms energy: -28.258386 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -37.177514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.177514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.177514 (E_RNA) where: Base-Base interactions energy: -6.438 where: short stacking energy: -6.438 Base-Backbone interact. energy: -0.212 local terms energy: -30.527856 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -5.714 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: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -37.893566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.893566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.893566 (E_RNA) where: Base-Base interactions energy: -9.582 where: short stacking energy: -9.582 Base-Backbone interact. energy: -0.017 local terms energy: -28.295230 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -33.850760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.850760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.850760 (E_RNA) where: Base-Base interactions energy: -9.416 where: short stacking energy: -9.416 Base-Backbone interact. energy: -0.001 local terms energy: -24.433633 where: bonds (distance) C4'-P energy: -5.412 bonds (distance) P-C4' energy: -7.399 flat angles C4'-P-C4' energy: -3.495 flat angles P-C4'-P energy: -6.195 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: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -37.078447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.078447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.078447 (E_RNA) where: Base-Base interactions energy: -10.022 where: short stacking energy: -10.030 Base-Backbone interact. energy: -0.019 local terms energy: -27.038337 where: bonds (distance) C4'-P energy: -5.925 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -5.495 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: 3 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -40.900512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.900512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.900512 (E_RNA) where: Base-Base interactions energy: -18.264 where: short stacking energy: -11.936 Base-Backbone interact. energy: -0.112 local terms energy: -22.524051 where: bonds (distance) C4'-P energy: -4.680 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -3.443 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: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -35.189871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.189871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.189871 (E_RNA) where: Base-Base interactions energy: -8.068 where: short stacking energy: -8.068 Base-Backbone interact. energy: -0.019 local terms energy: -27.102671 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -29.916445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.916445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.916445 (E_RNA) where: Base-Base interactions energy: -4.828 where: short stacking energy: -4.828 Base-Backbone interact. energy: -0.054 local terms energy: -25.034950 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.129 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -45.855711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.855711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.855711 (E_RNA) where: Base-Base interactions energy: -16.099 where: short stacking energy: -16.099 Base-Backbone interact. energy: -0.061 local terms energy: -29.696516 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -2.557 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: 4 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -45.176328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.176328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.176328 (E_RNA) where: Base-Base interactions energy: -13.975 where: short stacking energy: -13.975 Base-Backbone interact. energy: -0.005 local terms energy: -31.196240 where: bonds (distance) C4'-P energy: -4.825 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -6.288 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: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -39.876873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.876873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.876873 (E_RNA) where: Base-Base interactions energy: -8.834 where: short stacking energy: -8.834 Base-Backbone interact. energy: -0.125 local terms energy: -30.917389 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -4.447 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: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -36.740432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.740432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.740432 (E_RNA) where: Base-Base interactions energy: -6.386 where: short stacking energy: -6.386 Base-Backbone interact. energy: -0.000 local terms energy: -30.354205 where: bonds (distance) C4'-P energy: -6.327 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -4.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -36.693285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.693285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.693285 (E_RNA) where: Base-Base interactions energy: -7.256 where: short stacking energy: -7.256 Base-Backbone interact. energy: -0.035 local terms energy: -29.401984 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -6.412 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: 6, replica: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -43.619639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.619639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.619639 (E_RNA) where: Base-Base interactions energy: -11.791 where: short stacking energy: -11.791 Base-Backbone interact. energy: -0.003 local terms energy: -31.826254 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -7.911 flat angles C4'-P-C4' energy: -3.714 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -6.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -30.089091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.089091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.089091 (E_RNA) where: Base-Base interactions energy: -7.760 where: short stacking energy: -6.891 Base-Backbone interact. energy: 0.269 local terms energy: -22.598139 where: bonds (distance) C4'-P energy: -6.526 bonds (distance) P-C4' energy: -5.666 flat angles C4'-P-C4' energy: -4.512 flat angles P-C4'-P energy: -5.622 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: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -34.999033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.999033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.999033 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.012 local terms energy: -23.594302 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -5.396 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -33.861337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.861337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.861337 (E_RNA) where: Base-Base interactions energy: -13.749 where: short stacking energy: -13.749 Base-Backbone interact. energy: -0.211 local terms energy: -19.901563 where: bonds (distance) C4'-P energy: -4.456 bonds (distance) P-C4' energy: -7.217 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -1.848 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -32.423343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.423343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.423343 (E_RNA) where: Base-Base interactions energy: -9.546 where: short stacking energy: -9.546 Base-Backbone interact. energy: -0.059 local terms energy: -22.818612 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -2.328 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: 1, replica: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -40.210558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.210558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.210558 (E_RNA) where: Base-Base interactions energy: -12.752 where: short stacking energy: -12.752 Base-Backbone interact. energy: -0.083 local terms energy: -27.375423 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -45.678693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.678693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.678693 (E_RNA) where: Base-Base interactions energy: -15.627 where: short stacking energy: -15.627 Base-Backbone interact. energy: -0.048 local terms energy: -30.002866 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -37.378567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.378567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.378567 (E_RNA) where: Base-Base interactions energy: -10.691 where: short stacking energy: -10.641 Base-Backbone interact. energy: 0.724 local terms energy: -27.412010 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -3.031 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -35.127215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.127215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.127215 (E_RNA) where: Base-Base interactions energy: -7.964 where: short stacking energy: -7.964 Base-Backbone interact. energy: -0.185 local terms energy: -26.978271 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.420 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -38.100212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.100212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.100212 (E_RNA) where: Base-Base interactions energy: -11.868 where: short stacking energy: -11.987 Base-Backbone interact. energy: -1.534 local terms energy: -24.698118 where: bonds (distance) C4'-P energy: -6.251 bonds (distance) P-C4' energy: -6.423 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -36.731616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.731616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.731616 (E_RNA) where: Base-Base interactions energy: -11.768 where: short stacking energy: -11.768 Base-Backbone interact. energy: -0.089 local terms energy: -24.874346 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -2.461 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: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -35.506875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.506875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.506875 (E_RNA) where: Base-Base interactions energy: -11.557 where: short stacking energy: -10.835 Base-Backbone interact. energy: 0.493 local terms energy: -24.442802 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: 0.138 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: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -37.997253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.997253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.997253 (E_RNA) where: Base-Base interactions energy: -14.187 where: short stacking energy: -11.964 Base-Backbone interact. energy: -0.008 local terms energy: -23.802785 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -3.959 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -1.339 tors. eta vs tors. theta energy: -3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -32.172830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.172830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.172830 (E_RNA) where: Base-Base interactions energy: -6.790 where: short stacking energy: -6.790 Base-Backbone interact. energy: 0.077 local terms energy: -25.459109 where: bonds (distance) C4'-P energy: -6.251 bonds (distance) P-C4' energy: -6.117 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -5.535 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: 10, replica: 5 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -34.690045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.690045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.690045 (E_RNA) where: Base-Base interactions energy: -10.540 where: short stacking energy: -10.540 Base-Backbone interact. energy: -0.007 local terms energy: -24.142553 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -6.337 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -1.253 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -45.337626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.337626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.337626 (E_RNA) where: Base-Base interactions energy: -10.199 where: short stacking energy: -10.199 Base-Backbone interact. energy: -0.001 local terms energy: -35.137661 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -6.737 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: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -50.106939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.106939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.106939 (E_RNA) where: Base-Base interactions energy: -18.115 where: short stacking energy: -18.115 Base-Backbone interact. energy: -0.375 local terms energy: -31.616794 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -5.990 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: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -41.941594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.941594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.941594 (E_RNA) where: Base-Base interactions energy: -14.753 where: short stacking energy: -14.753 Base-Backbone interact. energy: -0.010 local terms energy: -27.179185 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -4.940 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: 4, replica: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -40.261959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.261959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.261959 (E_RNA) where: Base-Base interactions energy: -7.021 where: short stacking energy: -5.273 Base-Backbone interact. energy: -0.001 local terms energy: -33.240605 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -7.228 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -38.447905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.447905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.447905 (E_RNA) where: Base-Base interactions energy: -8.703 where: short stacking energy: -8.703 Base-Backbone interact. energy: -0.003 local terms energy: -29.741282 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -5.745 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: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -40.385971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.385971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.385971 (E_RNA) where: Base-Base interactions energy: -14.787 where: short stacking energy: -14.787 Base-Backbone interact. energy: -0.055 local terms energy: -25.544214 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -7.623 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: 0.474 tors. eta vs tors. theta energy: -4.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -34.062438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.062438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.062438 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.007 local terms energy: -26.851609 where: bonds (distance) C4'-P energy: -5.905 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -5.472 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: 8, replica: 3 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -33.913079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.913079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.913079 (E_RNA) where: Base-Base interactions energy: -10.801 where: short stacking energy: -10.801 Base-Backbone interact. energy: -0.008 local terms energy: -23.104064 where: bonds (distance) C4'-P energy: -4.502 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.965 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: 9, replica: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -37.155481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.155481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.155481 (E_RNA) where: Base-Base interactions energy: -9.576 where: short stacking energy: -9.576 Base-Backbone interact. energy: -0.002 local terms energy: -27.577548 where: bonds (distance) C4'-P energy: -2.591 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -30.332389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.332389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.332389 (E_RNA) where: Base-Base interactions energy: -6.671 where: short stacking energy: -6.671 Base-Backbone interact. energy: -0.005 local terms energy: -23.656580 where: bonds (distance) C4'-P energy: -7.416 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -4.298 flat angles P-C4'-P energy: -3.765 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: 1, replica: 4 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -49.525179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.525179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.525179 (E_RNA) where: Base-Base interactions energy: -15.840 where: short stacking energy: -15.840 Base-Backbone interact. energy: -0.110 local terms energy: -33.575746 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -6.065 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: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -38.634485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.634485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.634485 (E_RNA) where: Base-Base interactions energy: -10.738 where: short stacking energy: -10.738 Base-Backbone interact. energy: -0.201 local terms energy: -27.696330 where: bonds (distance) C4'-P energy: -4.254 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -38.819979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.819979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.819979 (E_RNA) where: Base-Base interactions energy: -9.087 where: short stacking energy: -9.087 Base-Backbone interact. energy: -0.031 local terms energy: -29.702030 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -6.049 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: 116 Temperature: 1.050000 Total energy: -44.672988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.672988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.672988 (E_RNA) where: Base-Base interactions energy: -14.254 where: short stacking energy: -14.254 Base-Backbone interact. energy: -1.050 local terms energy: -29.368758 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -5.118 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: 5, replica: 7 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -42.070989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.070989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.070989 (E_RNA) where: Base-Base interactions energy: -12.696 where: short stacking energy: -12.696 Base-Backbone interact. energy: 0.085 local terms energy: -29.459702 where: bonds (distance) C4'-P energy: -6.430 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -3.742 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: 6, replica: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -31.808934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.808934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.808934 (E_RNA) where: Base-Base interactions energy: -5.813 where: short stacking energy: -5.813 Base-Backbone interact. energy: -0.979 local terms energy: -25.017129 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -0.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -32.222991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.222991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.222991 (E_RNA) where: Base-Base interactions energy: -5.473 where: short stacking energy: -5.473 Base-Backbone interact. energy: -0.143 local terms energy: -26.607540 where: bonds (distance) C4'-P energy: -4.183 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -5.800 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: 8, replica: 3 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -31.773692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.773692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.773692 (E_RNA) where: Base-Base interactions energy: -7.662 where: short stacking energy: -7.662 Base-Backbone interact. energy: -0.103 local terms energy: -24.008324 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -3.980 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: 9, replica: 5 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -31.535851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.535851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.535851 (E_RNA) where: Base-Base interactions energy: -6.371 where: short stacking energy: -6.371 Base-Backbone interact. energy: -0.009 local terms energy: -25.155880 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -7.911 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -33.272819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.272819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.272819 (E_RNA) where: Base-Base interactions energy: -9.402 where: short stacking energy: -9.402 Base-Backbone interact. energy: 2.175 local terms energy: -26.045906 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -0.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -49.025918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.025918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.025918 (E_RNA) where: Base-Base interactions energy: -15.614 where: short stacking energy: -14.532 Base-Backbone interact. energy: 0.038 local terms energy: -33.449938 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -4.726 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: 2, replica: 10 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -42.484085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.484085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.484085 (E_RNA) where: Base-Base interactions energy: -12.526 where: short stacking energy: -12.526 Base-Backbone interact. energy: -0.001 local terms energy: -29.956677 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -6.599 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -44.483534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.483534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.483534 (E_RNA) where: Base-Base interactions energy: -11.795 where: short stacking energy: -11.795 Base-Backbone interact. energy: -0.000 local terms energy: -32.688278 where: bonds (distance) C4'-P energy: -7.672 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -45.934153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.934153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.934153 (E_RNA) where: Base-Base interactions energy: -16.037 where: short stacking energy: -16.037 Base-Backbone interact. energy: -0.000 local terms energy: -29.896916 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -2.268 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -31.968554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.968554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.968554 (E_RNA) where: Base-Base interactions energy: -9.153 where: short stacking energy: -9.153 Base-Backbone interact. energy: -0.187 local terms energy: -22.628499 where: bonds (distance) C4'-P energy: -4.965 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: 0.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -43.862824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.862824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.862824 (E_RNA) where: Base-Base interactions energy: -16.091 where: short stacking energy: -16.091 Base-Backbone interact. energy: -0.128 local terms energy: -27.643031 where: bonds (distance) C4'-P energy: -7.858 bonds (distance) P-C4' energy: -6.316 flat angles C4'-P-C4' energy: -6.962 flat angles P-C4'-P energy: -2.212 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: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -40.394618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.394618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.394618 (E_RNA) where: Base-Base interactions energy: -13.886 where: short stacking energy: -13.886 Base-Backbone interact. energy: 0.490 local terms energy: -26.998052 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -6.393 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -36.185401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.185401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.185401 (E_RNA) where: Base-Base interactions energy: -8.916 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.141 local terms energy: -27.128682 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -6.350 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: 9, replica: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -32.938360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.938360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.938360 (E_RNA) where: Base-Base interactions energy: -9.933 where: short stacking energy: -9.933 Base-Backbone interact. energy: -0.005 local terms energy: -23.000999 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -1.174 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: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -30.507576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.507576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.507576 (E_RNA) where: Base-Base interactions energy: -6.766 where: short stacking energy: -6.766 Base-Backbone interact. energy: -0.012 local terms energy: -23.729749 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -2.718 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: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -34.849650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.849650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.849650 (E_RNA) where: Base-Base interactions energy: -8.445 where: short stacking energy: -8.445 Base-Backbone interact. energy: -0.103 local terms energy: -26.300890 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -7.098 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -6.506 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: 2, replica: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -46.309405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.309405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.309405 (E_RNA) where: Base-Base interactions energy: -13.340 where: short stacking energy: -13.340 Base-Backbone interact. energy: -0.004 local terms energy: -32.964757 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -2.816 tors. eta vs tors. theta energy: -5.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -40.854022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.854022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.854022 (E_RNA) where: Base-Base interactions energy: -15.444 where: short stacking energy: -15.444 Base-Backbone interact. energy: -0.110 local terms energy: -25.299194 where: bonds (distance) C4'-P energy: -2.683 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -37.673588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.673588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.673588 (E_RNA) where: Base-Base interactions energy: -15.410 where: short stacking energy: -10.564 Base-Backbone interact. energy: -0.149 local terms energy: -22.115130 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -4.159 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: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -44.301008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.301008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.301008 (E_RNA) where: Base-Base interactions energy: -13.330 where: short stacking energy: -13.330 Base-Backbone interact. energy: -0.002 local terms energy: -30.969368 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -34.750868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.750868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.750868 (E_RNA) where: Base-Base interactions energy: -5.973 where: short stacking energy: -5.973 Base-Backbone interact. energy: -0.102 local terms energy: -28.675150 where: bonds (distance) C4'-P energy: -5.846 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -5.110 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: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -33.291899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.291899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.291899 (E_RNA) where: Base-Base interactions energy: -5.625 where: short stacking energy: -5.625 Base-Backbone interact. energy: -0.426 local terms energy: -27.240927 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -1.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -32.820992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.820992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.820992 (E_RNA) where: Base-Base interactions energy: -11.320 where: short stacking energy: -11.320 Base-Backbone interact. energy: -0.220 local terms energy: -21.280963 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -4.448 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -4.118 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: 9, replica: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -33.193866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.193866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.193866 (E_RNA) where: Base-Base interactions energy: -7.526 where: short stacking energy: -7.526 Base-Backbone interact. energy: -0.001 local terms energy: -25.667160 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -5.141 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: 10, replica: 3 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -35.006875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.006875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.006875 (E_RNA) where: Base-Base interactions energy: -8.431 where: short stacking energy: -7.261 Base-Backbone interact. energy: 0.735 local terms energy: -27.310857 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -48.578116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.578116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.578116 (E_RNA) where: Base-Base interactions energy: -16.380 where: short stacking energy: -16.380 Base-Backbone interact. energy: -0.001 local terms energy: -32.197648 where: bonds (distance) C4'-P energy: -6.551 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -6.007 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: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -36.859383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.859383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.859383 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.854 local terms energy: -27.435473 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -2.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -37.226444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.226444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.226444 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.121 local terms energy: -29.979368 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.449 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -36.073913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.073913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.073913 (E_RNA) where: Base-Base interactions energy: -11.182 where: short stacking energy: -11.182 Base-Backbone interact. energy: -0.116 local terms energy: -24.776613 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -36.274635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.274635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.274635 (E_RNA) where: Base-Base interactions energy: -12.753 where: short stacking energy: -11.099 Base-Backbone interact. energy: -0.725 local terms energy: -22.796644 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -39.815632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.815632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.815632 (E_RNA) where: Base-Base interactions energy: -11.692 where: short stacking energy: -11.692 Base-Backbone interact. energy: -0.000 local terms energy: -28.124023 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -3.211 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: 7, replica: 2 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -34.373257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.373257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.373257 (E_RNA) where: Base-Base interactions energy: -12.625 where: short stacking energy: -12.625 Base-Backbone interact. energy: -0.000 local terms energy: -21.748042 where: bonds (distance) C4'-P energy: -5.002 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -1.305 tors. eta vs tors. theta energy: -3.468 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: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -33.982299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.982299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.982299 (E_RNA) where: Base-Base interactions energy: -6.739 where: short stacking energy: -6.739 Base-Backbone interact. energy: -0.053 local terms energy: -27.189801 where: bonds (distance) C4'-P energy: -5.925 bonds (distance) P-C4' energy: -7.129 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -32.140189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.140189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.140189 (E_RNA) where: Base-Base interactions energy: -7.001 where: short stacking energy: -7.001 Base-Backbone interact. energy: -0.000 local terms energy: -25.139074 where: bonds (distance) C4'-P energy: -7.966 bonds (distance) P-C4' energy: -5.045 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -36.325382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.325382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.325382 (E_RNA) where: Base-Base interactions energy: -8.316 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.015 local terms energy: -27.994878 where: bonds (distance) C4'-P energy: -5.673 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -5.288 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: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -39.461085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.461085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.461085 (E_RNA) where: Base-Base interactions energy: -12.152 where: short stacking energy: -10.820 Base-Backbone interact. energy: -0.056 local terms energy: -27.253331 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -2.774 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: 2, replica: 10 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -45.398151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.398151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.398151 (E_RNA) where: Base-Base interactions energy: -11.425 where: short stacking energy: -10.570 Base-Backbone interact. energy: -0.029 local terms energy: -33.943342 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -4.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -41.666240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.666240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.666240 (E_RNA) where: Base-Base interactions energy: -12.146 where: short stacking energy: -12.146 Base-Backbone interact. energy: -0.144 local terms energy: -29.375902 where: bonds (distance) C4'-P energy: -5.694 bonds (distance) P-C4' energy: -6.344 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -35.435510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.435510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.435510 (E_RNA) where: Base-Base interactions energy: -8.385 where: short stacking energy: -8.385 Base-Backbone interact. energy: -0.002 local terms energy: -27.048492 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -3.441 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: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -35.295917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.295917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.295917 (E_RNA) where: Base-Base interactions energy: -8.697 where: short stacking energy: -8.697 Base-Backbone interact. energy: -0.199 local terms energy: -26.399820 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -8.141 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -30.938632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.938632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.938632 (E_RNA) where: Base-Base interactions energy: -5.797 where: short stacking energy: -2.622 Base-Backbone interact. energy: -0.212 local terms energy: -24.929996 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -5.643 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: 7, replica: 1 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -37.272255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.272255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.272255 (E_RNA) where: Base-Base interactions energy: -9.274 where: short stacking energy: -9.274 Base-Backbone interact. energy: -0.092 local terms energy: -27.906107 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -5.020 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: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -33.797094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.797094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.797094 (E_RNA) where: Base-Base interactions energy: -6.892 where: short stacking energy: -6.892 Base-Backbone interact. energy: -0.110 local terms energy: -26.795372 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -5.283 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: 9, replica: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -32.197372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.197372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.197372 (E_RNA) where: Base-Base interactions energy: -6.821 where: short stacking energy: -6.821 Base-Backbone interact. energy: -0.062 local terms energy: -25.314208 where: bonds (distance) C4'-P energy: -4.274 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.628 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: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -34.612969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.612969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.612969 (E_RNA) where: Base-Base interactions energy: -8.940 where: short stacking energy: -8.940 Base-Backbone interact. energy: -0.312 local terms energy: -25.360830 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -47.523085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.523085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.523085 (E_RNA) where: Base-Base interactions energy: -15.872 where: short stacking energy: -15.872 Base-Backbone interact. energy: -0.029 local terms energy: -31.622194 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -6.960 flat angles C4'-P-C4' energy: -8.169 flat angles P-C4'-P energy: -4.815 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: 2, replica: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -40.883485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.883485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.883485 (E_RNA) where: Base-Base interactions energy: -10.079 where: short stacking energy: -10.079 Base-Backbone interact. energy: 0.008 local terms energy: -30.811725 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -4.868 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: 3, replica: 10 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -44.259171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.259171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.259171 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -13.012 Base-Backbone interact. energy: -0.011 local terms energy: -31.236315 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -6.457 tors. eta vs tors. theta energy: -4.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -36.936875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.936875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.936875 (E_RNA) where: Base-Base interactions energy: -10.116 where: short stacking energy: -10.116 Base-Backbone interact. energy: -0.026 local terms energy: -26.795046 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -4.259 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: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -36.192349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.192349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.192349 (E_RNA) where: Base-Base interactions energy: -13.725 where: short stacking energy: -13.725 Base-Backbone interact. energy: -0.057 local terms energy: -22.409752 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -3.733 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: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -37.938226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.938226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.938226 (E_RNA) where: Base-Base interactions energy: -14.422 where: short stacking energy: -14.422 Base-Backbone interact. energy: -0.029 local terms energy: -23.486697 where: bonds (distance) C4'-P energy: -3.077 bonds (distance) P-C4' energy: -5.026 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -37.102093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.102093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.102093 (E_RNA) where: Base-Base interactions energy: -8.045 where: short stacking energy: -8.045 Base-Backbone interact. energy: -0.069 local terms energy: -28.988488 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -3.916 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: 8, replica: 3 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -35.463816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.463816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.463816 (E_RNA) where: Base-Base interactions energy: -6.813 where: short stacking energy: -6.813 Base-Backbone interact. energy: -0.031 local terms energy: -28.620153 where: bonds (distance) C4'-P energy: -6.882 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -30.023817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.023817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.023817 (E_RNA) where: Base-Base interactions energy: -4.887 where: short stacking energy: -4.887 Base-Backbone interact. energy: -0.005 local terms energy: -25.131676 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -1.721 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: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -30.739932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.739932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.739932 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.001 local terms energy: -23.526085 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -0.944 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: 1, replica: 4 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -47.519191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.519191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.519191 (E_RNA) where: Base-Base interactions energy: -14.470 where: short stacking energy: -14.470 Base-Backbone interact. energy: -0.034 local terms energy: -33.015360 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.404 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -5.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -48.578688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.578688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.578688 (E_RNA) where: Base-Base interactions energy: -18.601 where: short stacking energy: -18.601 Base-Backbone interact. energy: -0.030 local terms energy: -29.947703 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -3.981 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -6.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -37.568382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.568382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.568382 (E_RNA) where: Base-Base interactions energy: -11.703 where: short stacking energy: -11.703 Base-Backbone interact. energy: -0.002 local terms energy: -25.862823 where: bonds (distance) C4'-P energy: -6.637 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: 0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -36.543706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.543706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.543706 (E_RNA) where: Base-Base interactions energy: -10.606 where: short stacking energy: -10.606 Base-Backbone interact. energy: -0.127 local terms energy: -25.811296 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -4.290 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: 5, replica: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -41.647164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.647164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.647164 (E_RNA) where: Base-Base interactions energy: -8.078 where: short stacking energy: -8.078 Base-Backbone interact. energy: -0.002 local terms energy: -33.567151 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -36.048626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.048626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.048626 (E_RNA) where: Base-Base interactions energy: -11.211 where: short stacking energy: -9.630 Base-Backbone interact. energy: -0.022 local terms energy: -24.815916 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -3.349 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: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -38.295778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.295778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.295778 (E_RNA) where: Base-Base interactions energy: -13.567 where: short stacking energy: -13.567 Base-Backbone interact. energy: -0.004 local terms energy: -24.724465 where: bonds (distance) C4'-P energy: -4.621 bonds (distance) P-C4' energy: -7.546 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -35.262027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.262027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.262027 (E_RNA) where: Base-Base interactions energy: -10.431 where: short stacking energy: -10.431 Base-Backbone interact. energy: -0.001 local terms energy: -24.829959 where: bonds (distance) C4'-P energy: -7.346 bonds (distance) P-C4' energy: -6.277 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -33.156814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.156814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.156814 (E_RNA) where: Base-Base interactions energy: -8.081 where: short stacking energy: -8.081 Base-Backbone interact. energy: -0.015 local terms energy: -25.060529 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.007 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: 10, replica: 2 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -30.861662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.861662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.861662 (E_RNA) where: Base-Base interactions energy: -6.613 where: short stacking energy: -6.613 Base-Backbone interact. energy: -1.526 local terms energy: -22.722490 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -8.141 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -5.358 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: 1, replica: 4 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -52.114433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.114433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.114433 (E_RNA) where: Base-Base interactions energy: -16.204 where: short stacking energy: -16.204 Base-Backbone interact. energy: -0.000 local terms energy: -35.910002 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -8.867 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: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -43.419481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.419481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.419481 (E_RNA) where: Base-Base interactions energy: -14.017 where: short stacking energy: -14.017 Base-Backbone interact. energy: -0.000 local terms energy: -29.401843 where: bonds (distance) C4'-P energy: -7.871 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -4.952 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: 3, replica: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -44.391292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.391292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.391292 (E_RNA) where: Base-Base interactions energy: -13.695 where: short stacking energy: -13.695 Base-Backbone interact. energy: -0.001 local terms energy: -30.694965 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -34.162971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.162971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.162971 (E_RNA) where: Base-Base interactions energy: -6.376 where: short stacking energy: -6.376 Base-Backbone interact. energy: -0.001 local terms energy: -27.786389 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -32.724401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.724401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.724401 (E_RNA) where: Base-Base interactions energy: -8.875 where: short stacking energy: -8.875 Base-Backbone interact. energy: -0.149 local terms energy: -23.700115 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -5.585 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: 0.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -35.754700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.754700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.754700 (E_RNA) where: Base-Base interactions energy: -10.618 where: short stacking energy: -10.618 Base-Backbone interact. energy: -0.178 local terms energy: -24.959163 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -1.901 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: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -33.859389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.859389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.859389 (E_RNA) where: Base-Base interactions energy: -9.850 where: short stacking energy: -5.657 Base-Backbone interact. energy: -0.101 local terms energy: -23.908402 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -31.795875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.795875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.795875 (E_RNA) where: Base-Base interactions energy: -6.949 where: short stacking energy: -6.949 Base-Backbone interact. energy: -0.006 local terms energy: -24.840494 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -3.278 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: 9, replica: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -39.291995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.291995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.291995 (E_RNA) where: Base-Base interactions energy: -12.969 where: short stacking energy: -12.035 Base-Backbone interact. energy: -0.900 local terms energy: -25.423473 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -4.858 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -33.644018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.644018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.644018 (E_RNA) where: Base-Base interactions energy: -9.344 where: short stacking energy: -9.744 Base-Backbone interact. energy: -1.105 local terms energy: -23.195014 where: bonds (distance) C4'-P energy: -6.597 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -2.706 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: 1, replica: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -41.028755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.028755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.028755 (E_RNA) where: Base-Base interactions energy: -13.529 where: short stacking energy: -13.529 Base-Backbone interact. energy: -0.054 local terms energy: -27.446069 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -46.536060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.536060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.536060 (E_RNA) where: Base-Base interactions energy: -18.099 where: short stacking energy: -18.099 Base-Backbone interact. energy: -0.012 local terms energy: -28.424641 where: bonds (distance) C4'-P energy: -6.481 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -3.025 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: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -47.261873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.261873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.261873 (E_RNA) where: Base-Base interactions energy: -16.552 where: short stacking energy: -11.992 Base-Backbone interact. energy: -0.130 local terms energy: -30.579219 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -41.697967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.697967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.697967 (E_RNA) where: Base-Base interactions energy: -12.412 where: short stacking energy: -12.412 Base-Backbone interact. energy: -0.083 local terms energy: -29.202631 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -6.666 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -2.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -40.013082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.013082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.013082 (E_RNA) where: Base-Base interactions energy: -13.483 where: short stacking energy: -13.483 Base-Backbone interact. energy: -1.028 local terms energy: -25.502093 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.542 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: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -35.380903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.380903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.380903 (E_RNA) where: Base-Base interactions energy: -10.078 where: short stacking energy: -10.078 Base-Backbone interact. energy: -0.101 local terms energy: -25.202074 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -5.454 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: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -36.457748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.457748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.457748 (E_RNA) where: Base-Base interactions energy: -8.631 where: short stacking energy: -8.631 Base-Backbone interact. energy: -0.166 local terms energy: -27.659827 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.588 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: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -40.198306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.198306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.198306 (E_RNA) where: Base-Base interactions energy: -11.936 where: short stacking energy: -11.936 Base-Backbone interact. energy: -0.000 local terms energy: -28.262384 where: bonds (distance) C4'-P energy: -6.956 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -2.547 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: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -30.504619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.504619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.504619 (E_RNA) where: Base-Base interactions energy: -7.143 where: short stacking energy: -7.143 Base-Backbone interact. energy: -0.105 local terms energy: -23.256786 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -30.604656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.604656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.604656 (E_RNA) where: Base-Base interactions energy: -7.824 where: short stacking energy: -7.824 Base-Backbone interact. energy: -0.005 local terms energy: -22.776166 where: bonds (distance) C4'-P energy: -4.033 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -2.940 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -40.305334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.305334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.305334 (E_RNA) where: Base-Base interactions energy: -10.761 where: short stacking energy: -10.761 Base-Backbone interact. energy: -0.002 local terms energy: -29.542685 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -38.485244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.485244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.485244 (E_RNA) where: Base-Base interactions energy: -10.462 where: short stacking energy: -10.462 Base-Backbone interact. energy: 0.192 local terms energy: -28.215724 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -5.038 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: 3, replica: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -40.510627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.510627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.510627 (E_RNA) where: Base-Base interactions energy: -11.901 where: short stacking energy: -11.901 Base-Backbone interact. energy: -0.203 local terms energy: -28.405750 where: bonds (distance) C4'-P energy: -6.037 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -37.444536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.444536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.444536 (E_RNA) where: Base-Base interactions energy: -12.380 where: short stacking energy: -12.380 Base-Backbone interact. energy: -0.000 local terms energy: -25.064219 where: bonds (distance) C4'-P energy: -6.637 bonds (distance) P-C4' energy: -6.258 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -2.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -32.634542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.634542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.634542 (E_RNA) where: Base-Base interactions energy: -5.524 where: short stacking energy: -5.524 Base-Backbone interact. energy: -0.031 local terms energy: -27.079922 where: bonds (distance) C4'-P energy: -5.445 bonds (distance) P-C4' energy: -7.228 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -5.536 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: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -35.784268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.784268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.784268 (E_RNA) where: Base-Base interactions energy: -9.037 where: short stacking energy: -9.037 Base-Backbone interact. energy: -0.009 local terms energy: -26.737980 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -34.835432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.835432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.835432 (E_RNA) where: Base-Base interactions energy: -5.856 where: short stacking energy: -5.856 Base-Backbone interact. energy: -0.009 local terms energy: -28.969971 where: bonds (distance) C4'-P energy: -7.759 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -39.848607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.848607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.848607 (E_RNA) where: Base-Base interactions energy: -11.989 where: short stacking energy: -11.989 Base-Backbone interact. energy: -0.001 local terms energy: -27.858537 where: bonds (distance) C4'-P energy: -5.552 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -4.727 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: 9, replica: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -30.956663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.956663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.956663 (E_RNA) where: Base-Base interactions energy: -6.328 where: short stacking energy: -6.328 Base-Backbone interact. energy: -0.036 local terms energy: -24.592554 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -3.163 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: 10, replica: 2 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -33.930710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.930710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.930710 (E_RNA) where: Base-Base interactions energy: -7.859 where: short stacking energy: -7.859 Base-Backbone interact. energy: -0.027 local terms energy: -26.044845 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -6.427 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -51.797308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.797308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.797308 (E_RNA) where: Base-Base interactions energy: -16.802 where: short stacking energy: -16.802 Base-Backbone interact. energy: -0.094 local terms energy: -34.900986 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -6.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -44.424282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.424282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.424282 (E_RNA) where: Base-Base interactions energy: -14.342 where: short stacking energy: -13.917 Base-Backbone interact. energy: -0.825 local terms energy: -29.256575 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -3.853 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: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -43.875869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.875869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.875869 (E_RNA) where: Base-Base interactions energy: -13.477 where: short stacking energy: -13.477 Base-Backbone interact. energy: -0.001 local terms energy: -30.398310 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.464 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -6.094 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: 4, replica: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -38.643349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.643349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.643349 (E_RNA) where: Base-Base interactions energy: -9.118 where: short stacking energy: -9.118 Base-Backbone interact. energy: -0.002 local terms energy: -29.523660 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -39.517661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.517661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.517661 (E_RNA) where: Base-Base interactions energy: -11.947 where: short stacking energy: -9.337 Base-Backbone interact. energy: -0.071 local terms energy: -27.499361 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -7.221 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -4.086 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: 6, replica: 8 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -34.988282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.988282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.988282 (E_RNA) where: Base-Base interactions energy: -9.777 where: short stacking energy: -9.777 Base-Backbone interact. energy: -0.074 local terms energy: -25.137941 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -6.221 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: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -34.760642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.760642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.760642 (E_RNA) where: Base-Base interactions energy: -8.164 where: short stacking energy: -8.164 Base-Backbone interact. energy: 0.002 local terms energy: -26.598776 where: bonds (distance) C4'-P energy: -5.416 bonds (distance) P-C4' energy: -8.933 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: 0.811 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: 126 Temperature: 1.250000 Total energy: -34.555546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.555546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.555546 (E_RNA) where: Base-Base interactions energy: -9.554 where: short stacking energy: -9.554 Base-Backbone interact. energy: 0.538 local terms energy: -25.539385 where: bonds (distance) C4'-P energy: -6.028 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -2.083 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -30.022859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.022859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.022859 (E_RNA) where: Base-Base interactions energy: -6.373 where: short stacking energy: -4.913 Base-Backbone interact. energy: -0.007 local terms energy: -23.642795 where: bonds (distance) C4'-P energy: -6.997 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -2.328 tors. eta vs tors. theta energy: -1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -33.783938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.783938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.783938 (E_RNA) where: Base-Base interactions energy: -9.667 where: short stacking energy: -9.667 Base-Backbone interact. energy: -0.046 local terms energy: -24.070664 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -1.951 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -59.828376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.828376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.828376 (E_RNA) where: Base-Base interactions energy: -21.844 where: short stacking energy: -21.844 Base-Backbone interact. energy: -0.000 local terms energy: -37.983989 where: bonds (distance) C4'-P energy: -6.451 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -9.651 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: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -37.463819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.463819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.463819 (E_RNA) where: Base-Base interactions energy: -7.911 where: short stacking energy: -7.911 Base-Backbone interact. energy: -0.100 local terms energy: -29.453174 where: bonds (distance) C4'-P energy: -5.801 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -38.297405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.297405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.297405 (E_RNA) where: Base-Base interactions energy: -10.765 where: short stacking energy: -10.765 Base-Backbone interact. energy: -0.007 local terms energy: -27.525541 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -7.231 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -5.941 tors. eta vs tors. theta energy: -3.753 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: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -38.006919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.006919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.006919 (E_RNA) where: Base-Base interactions energy: -13.041 where: short stacking energy: -13.041 Base-Backbone interact. energy: -0.025 local terms energy: -24.941185 where: bonds (distance) C4'-P energy: -5.895 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -1.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -36.446213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.446213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.446213 (E_RNA) where: Base-Base interactions energy: -7.689 where: short stacking energy: -7.689 Base-Backbone interact. energy: -0.032 local terms energy: -28.725337 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -6.502 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: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -33.504356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.504356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.504356 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.056 local terms energy: -20.720542 where: bonds (distance) C4'-P energy: -4.166 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -3.665 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: 7, replica: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -36.844851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.844851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.844851 (E_RNA) where: Base-Base interactions energy: -14.682 where: short stacking energy: -14.682 Base-Backbone interact. energy: -0.039 local terms energy: -22.124012 where: bonds (distance) C4'-P energy: -5.532 bonds (distance) P-C4' energy: -5.061 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -3.705 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: 8, replica: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -34.899460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.899460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.899460 (E_RNA) where: Base-Base interactions energy: -6.778 where: short stacking energy: -6.778 Base-Backbone interact. energy: -0.008 local terms energy: -28.113355 where: bonds (distance) C4'-P energy: -6.393 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -36.187288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.187288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.187288 (E_RNA) where: Base-Base interactions energy: -10.830 where: short stacking energy: -10.830 Base-Backbone interact. energy: -0.011 local terms energy: -25.346957 where: bonds (distance) C4'-P energy: -3.262 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.770 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: 10, replica: 6 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -29.578468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.578468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.578468 (E_RNA) where: Base-Base interactions energy: -4.696 where: short stacking energy: -4.696 Base-Backbone interact. energy: -0.006 local terms energy: -24.876126 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -45.414521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.414521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.414521 (E_RNA) where: Base-Base interactions energy: -14.274 where: short stacking energy: -14.274 Base-Backbone interact. energy: -0.020 local terms energy: -31.120682 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -6.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -41.813658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.813658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.813658 (E_RNA) where: Base-Base interactions energy: -13.847 where: short stacking energy: -13.847 Base-Backbone interact. energy: -0.111 local terms energy: -27.856523 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -3.304 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: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -42.223803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.223803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.223803 (E_RNA) where: Base-Base interactions energy: -10.017 where: short stacking energy: -10.017 Base-Backbone interact. energy: -0.000 local terms energy: -32.206432 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.895 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -4.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -39.689696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.689696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.689696 (E_RNA) where: Base-Base interactions energy: -10.614 where: short stacking energy: -10.614 Base-Backbone interact. energy: -0.159 local terms energy: -28.916504 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -3.855 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: 7 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -40.259394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.259394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.259394 (E_RNA) where: Base-Base interactions energy: -12.834 where: short stacking energy: -12.834 Base-Backbone interact. energy: -0.017 local terms energy: -27.408620 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -7.349 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -3.537 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: 6, replica: 4 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -33.687830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.687830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.687830 (E_RNA) where: Base-Base interactions energy: -10.121 where: short stacking energy: -10.121 Base-Backbone interact. energy: -0.081 local terms energy: -23.486372 where: bonds (distance) C4'-P energy: -3.623 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -28.757078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.757078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.757078 (E_RNA) where: Base-Base interactions energy: -8.096 where: short stacking energy: -8.096 Base-Backbone interact. energy: -0.004 local terms energy: -20.656412 where: bonds (distance) C4'-P energy: -6.119 bonds (distance) P-C4' energy: -7.709 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -3.408 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: 8, replica: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -33.667719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.667719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.667719 (E_RNA) where: Base-Base interactions energy: -8.289 where: short stacking energy: -8.289 Base-Backbone interact. energy: -0.012 local terms energy: -25.366092 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -34.012302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.012302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.012302 (E_RNA) where: Base-Base interactions energy: -9.024 where: short stacking energy: -9.024 Base-Backbone interact. energy: -0.000 local terms energy: -24.988231 where: bonds (distance) C4'-P energy: -6.112 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -31.919696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.919696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.919696 (E_RNA) where: Base-Base interactions energy: -9.572 where: short stacking energy: -9.724 Base-Backbone interact. energy: -0.444 local terms energy: -21.903093 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -6.960 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -0.902 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: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -48.060509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.060509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.060509 (E_RNA) where: Base-Base interactions energy: -15.470 where: short stacking energy: -15.470 Base-Backbone interact. energy: -0.007 local terms energy: -32.584112 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -4.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -38.993478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.993478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.993478 (E_RNA) where: Base-Base interactions energy: -9.855 where: short stacking energy: -9.855 Base-Backbone interact. energy: -2.552 local terms energy: -26.586360 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -38.749904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.749904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.749904 (E_RNA) where: Base-Base interactions energy: -11.036 where: short stacking energy: -11.036 Base-Backbone interact. energy: -0.032 local terms energy: -27.682054 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -6.489 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: 4, replica: 7 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -47.074645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.074645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.074645 (E_RNA) where: Base-Base interactions energy: -17.671 where: short stacking energy: -17.671 Base-Backbone interact. energy: 0.357 local terms energy: -29.760832 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -6.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -44.358174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.358174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.358174 (E_RNA) where: Base-Base interactions energy: -17.081 where: short stacking energy: -17.081 Base-Backbone interact. energy: -0.000 local terms energy: -27.277120 where: bonds (distance) C4'-P energy: -5.196 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -6.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -36.389051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.389051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.389051 (E_RNA) where: Base-Base interactions energy: -8.166 where: short stacking energy: -8.166 Base-Backbone interact. energy: -0.146 local terms energy: -28.077019 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -37.178647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.178647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.178647 (E_RNA) where: Base-Base interactions energy: -10.213 where: short stacking energy: -10.213 Base-Backbone interact. energy: -0.065 local terms energy: -26.900423 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -39.548796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.548796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.548796 (E_RNA) where: Base-Base interactions energy: -13.684 where: short stacking energy: -12.634 Base-Backbone interact. energy: 1.015 local terms energy: -26.879974 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -29.145592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.145592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.145592 (E_RNA) where: Base-Base interactions energy: -3.246 where: short stacking energy: -2.303 Base-Backbone interact. energy: -1.491 local terms energy: -24.408402 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: 2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -38.364217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.364217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.364217 (E_RNA) where: Base-Base interactions energy: -4.234 where: short stacking energy: -4.234 Base-Backbone interact. energy: -0.048 local terms energy: -34.082918 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -5.382 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: 1, replica: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -45.699519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.699519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.699519 (E_RNA) where: Base-Base interactions energy: -12.055 where: short stacking energy: -12.055 Base-Backbone interact. energy: -0.009 local terms energy: -33.635890 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -38.307886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.307886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.307886 (E_RNA) where: Base-Base interactions energy: -10.245 where: short stacking energy: -10.245 Base-Backbone interact. energy: -0.107 local terms energy: -27.956309 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -38.260432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.260432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.260432 (E_RNA) where: Base-Base interactions energy: -8.347 where: short stacking energy: -8.347 Base-Backbone interact. energy: -0.076 local terms energy: -29.837366 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -37.221168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.221168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.221168 (E_RNA) where: Base-Base interactions energy: -10.835 where: short stacking energy: -10.380 Base-Backbone interact. energy: -0.111 local terms energy: -26.274827 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: 1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -36.718262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.718262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.718262 (E_RNA) where: Base-Base interactions energy: -6.248 where: short stacking energy: -6.248 Base-Backbone interact. energy: -0.026 local terms energy: -30.444845 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -5.463 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: 6, replica: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -37.315744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.315744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.315744 (E_RNA) where: Base-Base interactions energy: -8.443 where: short stacking energy: -8.443 Base-Backbone interact. energy: -0.002 local terms energy: -28.870870 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -6.246 tors. eta vs tors. theta energy: -2.808 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: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -34.900746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.900746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.900746 (E_RNA) where: Base-Base interactions energy: -6.876 where: short stacking energy: -6.876 Base-Backbone interact. energy: -0.193 local terms energy: -27.831403 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -33.231468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.231468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.231468 (E_RNA) where: Base-Base interactions energy: -6.044 where: short stacking energy: -6.044 Base-Backbone interact. energy: 0.115 local terms energy: -27.302589 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -2.771 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: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -31.070089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.070089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.070089 (E_RNA) where: Base-Base interactions energy: -9.710 where: short stacking energy: -9.710 Base-Backbone interact. energy: -0.026 local terms energy: -21.334204 where: bonds (distance) C4'-P energy: -5.064 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -1.372 tors. eta vs tors. theta energy: -0.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -31.241183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.241183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.241183 (E_RNA) where: Base-Base interactions energy: -7.874 where: short stacking energy: -7.874 Base-Backbone interact. energy: -0.109 local terms energy: -23.258012 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -1.506 tors. eta vs tors. theta energy: -1.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -50.913053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.913053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.913053 (E_RNA) where: Base-Base interactions energy: -16.579 where: short stacking energy: -12.466 Base-Backbone interact. energy: -0.026 local terms energy: -34.308070 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -5.804 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: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -42.947455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.947455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.947455 (E_RNA) where: Base-Base interactions energy: -15.378 where: short stacking energy: -15.378 Base-Backbone interact. energy: -0.005 local terms energy: -27.564789 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -5.389 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -41.924446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.924446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.924446 (E_RNA) where: Base-Base interactions energy: -13.435 where: short stacking energy: -13.435 Base-Backbone interact. energy: -0.000 local terms energy: -28.489290 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -8.144 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -5.961 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -41.276125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.276125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.276125 (E_RNA) where: Base-Base interactions energy: -14.975 where: short stacking energy: -14.975 Base-Backbone interact. energy: -0.088 local terms energy: -26.212612 where: bonds (distance) C4'-P energy: -6.352 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.590 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: 1 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -38.951605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.951605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.951605 (E_RNA) where: Base-Base interactions energy: -14.412 where: short stacking energy: -14.412 Base-Backbone interact. energy: -0.010 local terms energy: -24.529400 where: bonds (distance) C4'-P energy: -6.083 bonds (distance) P-C4' energy: -4.622 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -3.972 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: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -37.041241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.041241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.041241 (E_RNA) where: Base-Base interactions energy: -11.490 where: short stacking energy: -11.490 Base-Backbone interact. energy: -0.017 local terms energy: -25.534319 where: bonds (distance) C4'-P energy: -5.942 bonds (distance) P-C4' energy: -3.797 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -5.059 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: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -36.852628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.852628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.852628 (E_RNA) where: Base-Base interactions energy: -9.412 where: short stacking energy: -9.412 Base-Backbone interact. energy: -0.043 local terms energy: -27.397633 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -6.219 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -4.864 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: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -32.533984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.533984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.533984 (E_RNA) where: Base-Base interactions energy: -8.783 where: short stacking energy: -8.783 Base-Backbone interact. energy: -0.044 local terms energy: -23.707422 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -3.831 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: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -29.771636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.771636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.771636 (E_RNA) where: Base-Base interactions energy: -6.361 where: short stacking energy: -5.938 Base-Backbone interact. energy: -0.075 local terms energy: -23.334942 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: 1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -35.911751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.911751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.911751 (E_RNA) where: Base-Base interactions energy: -7.727 where: short stacking energy: -7.727 Base-Backbone interact. energy: -0.000 local terms energy: -28.184878 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -1.525 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: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -47.176769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.176769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.176769 (E_RNA) where: Base-Base interactions energy: -16.725 where: short stacking energy: -16.725 Base-Backbone interact. energy: -0.004 local terms energy: -30.447264 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -6.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -45.891894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.891894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.891894 (E_RNA) where: Base-Base interactions energy: -16.180 where: short stacking energy: -16.180 Base-Backbone interact. energy: -0.000 local terms energy: -29.711647 where: bonds (distance) C4'-P energy: -6.305 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -43.977161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.977161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.977161 (E_RNA) where: Base-Base interactions energy: -16.418 where: short stacking energy: -15.641 Base-Backbone interact. energy: -0.050 local terms energy: -27.508382 where: bonds (distance) C4'-P energy: -3.847 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -4.681 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: 4, replica: 9 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -40.240725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.240725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.240725 (E_RNA) where: Base-Base interactions energy: -14.339 where: short stacking energy: -13.206 Base-Backbone interact. energy: -0.035 local terms energy: -25.866754 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -7.224 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -37.198096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.198096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.198096 (E_RNA) where: Base-Base interactions energy: -10.611 where: short stacking energy: -10.611 Base-Backbone interact. energy: -0.003 local terms energy: -26.584061 where: bonds (distance) C4'-P energy: -6.158 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -4.397 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: 6, replica: 1 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -39.758888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.758888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.758888 (E_RNA) where: Base-Base interactions energy: -11.636 where: short stacking energy: -11.636 Base-Backbone interact. energy: -0.010 local terms energy: -28.112847 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -33.593126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.593126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.593126 (E_RNA) where: Base-Base interactions energy: -5.524 where: short stacking energy: -5.524 Base-Backbone interact. energy: -0.003 local terms energy: -28.066691 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -40.154122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.154122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.154122 (E_RNA) where: Base-Base interactions energy: -12.702 where: short stacking energy: -12.702 Base-Backbone interact. energy: -0.142 local terms energy: -27.310124 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -1.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -36.140895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.140895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.140895 (E_RNA) where: Base-Base interactions energy: -10.617 where: short stacking energy: -10.617 Base-Backbone interact. energy: -0.102 local terms energy: -25.421641 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -2.973 flat angles P-C4'-P energy: -2.329 tors. eta vs tors. theta energy: -4.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -29.173986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.173986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.173986 (E_RNA) where: Base-Base interactions energy: -5.328 where: short stacking energy: -4.799 Base-Backbone interact. energy: -0.476 local terms energy: -23.369662 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -6.126 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: 1, replica: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -48.067937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.067937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.067937 (E_RNA) where: Base-Base interactions energy: -16.506 where: short stacking energy: -16.506 Base-Backbone interact. energy: -0.034 local terms energy: -31.528191 where: bonds (distance) C4'-P energy: -6.269 bonds (distance) P-C4' energy: -7.893 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -7.218 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -42.168927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.168927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.168927 (E_RNA) where: Base-Base interactions energy: -14.061 where: short stacking energy: -14.061 Base-Backbone interact. energy: -0.036 local terms energy: -28.072557 where: bonds (distance) C4'-P energy: -3.839 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -5.997 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: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -37.917732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.917732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.917732 (E_RNA) where: Base-Base interactions energy: -11.071 where: short stacking energy: -11.071 Base-Backbone interact. energy: -0.026 local terms energy: -26.821077 where: bonds (distance) C4'-P energy: -5.784 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -6.243 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: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -45.286807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.286807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.286807 (E_RNA) where: Base-Base interactions energy: -13.873 where: short stacking energy: -13.873 Base-Backbone interact. energy: -0.012 local terms energy: -31.401460 where: bonds (distance) C4'-P energy: -6.778 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -5.337 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: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -39.329911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.329911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.329911 (E_RNA) where: Base-Base interactions energy: -10.064 where: short stacking energy: -10.064 Base-Backbone interact. energy: -1.189 local terms energy: -28.076421 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -6.178 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -3.903 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: 6, replica: 10 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -32.385925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.385925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.385925 (E_RNA) where: Base-Base interactions energy: -10.383 where: short stacking energy: -10.383 Base-Backbone interact. energy: -0.100 local terms energy: -21.903042 where: bonds (distance) C4'-P energy: -6.546 bonds (distance) P-C4' energy: -5.396 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -36.042150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.042150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.042150 (E_RNA) where: Base-Base interactions energy: -9.694 where: short stacking energy: -9.694 Base-Backbone interact. energy: -0.275 local terms energy: -26.073057 where: bonds (distance) C4'-P energy: -5.362 bonds (distance) P-C4' energy: -7.657 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -3.093 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: 8 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -32.825071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.825071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.825071 (E_RNA) where: Base-Base interactions energy: -7.670 where: short stacking energy: -7.647 Base-Backbone interact. energy: -0.180 local terms energy: -24.975438 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -5.494 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: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -30.175140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.175140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.175140 (E_RNA) where: Base-Base interactions energy: -6.128 where: short stacking energy: -6.128 Base-Backbone interact. energy: -0.087 local terms energy: -23.959762 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -4.741 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: 10, replica: 2 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -29.194137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.194137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.194137 (E_RNA) where: Base-Base interactions energy: -4.349 where: short stacking energy: -4.588 Base-Backbone interact. energy: -0.000 local terms energy: -24.845508 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -2.785 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: 1, replica: 4 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -46.696482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.696482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.696482 (E_RNA) where: Base-Base interactions energy: -17.086 where: short stacking energy: -17.086 Base-Backbone interact. energy: -0.003 local terms energy: -29.606957 where: bonds (distance) C4'-P energy: -6.074 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -7.662 flat angles P-C4'-P energy: -2.831 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: 2, replica: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -37.339220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.339220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.339220 (E_RNA) where: Base-Base interactions energy: -6.437 where: short stacking energy: -5.915 Base-Backbone interact. energy: -0.225 local terms energy: -30.677474 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -40.860343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.860343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.860343 (E_RNA) where: Base-Base interactions energy: -13.635 where: short stacking energy: -10.696 Base-Backbone interact. energy: -0.154 local terms energy: -27.071002 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -2.231 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -37.181897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.181897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.181897 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.100 local terms energy: -28.928989 where: bonds (distance) C4'-P energy: -6.414 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -44.025369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.025369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.025369 (E_RNA) where: Base-Base interactions energy: -14.315 where: short stacking energy: -14.315 Base-Backbone interact. energy: -0.000 local terms energy: -29.710490 where: bonds (distance) C4'-P energy: -5.833 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -5.163 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: 6, replica: 10 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -45.309591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.309591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.309591 (E_RNA) where: Base-Base interactions energy: -13.756 where: short stacking energy: -13.756 Base-Backbone interact. energy: -0.082 local terms energy: -31.471811 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -7.397 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -33.159935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.159935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.159935 (E_RNA) where: Base-Base interactions energy: -8.277 where: short stacking energy: -8.277 Base-Backbone interact. energy: -0.022 local terms energy: -24.861127 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -2.381 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: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -35.562722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.562722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.562722 (E_RNA) where: Base-Base interactions energy: -9.486 where: short stacking energy: -9.486 Base-Backbone interact. energy: -0.041 local terms energy: -26.035552 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -36.258749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.258749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.258749 (E_RNA) where: Base-Base interactions energy: -8.873 where: short stacking energy: -6.903 Base-Backbone interact. energy: -0.004 local terms energy: -27.381994 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -39.747005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.747005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.747005 (E_RNA) where: Base-Base interactions energy: -8.274 where: short stacking energy: -7.014 Base-Backbone interact. energy: -0.032 local terms energy: -31.440376 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -6.609 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: 1, replica: 4 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -44.404005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.404005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.404005 (E_RNA) where: Base-Base interactions energy: -15.481 where: short stacking energy: -15.481 Base-Backbone interact. energy: -0.005 local terms energy: -28.918217 where: bonds (distance) C4'-P energy: -4.502 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -41.401832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.401832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.401832 (E_RNA) where: Base-Base interactions energy: -9.344 where: short stacking energy: -9.344 Base-Backbone interact. energy: -0.033 local terms energy: -32.025155 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -5.484 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: 135 Temperature: 1.000000 Total energy: -35.925743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.925743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.925743 (E_RNA) where: Base-Base interactions energy: -7.874 where: short stacking energy: -7.874 Base-Backbone interact. energy: -0.025 local terms energy: -28.027398 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -38.530273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.530273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.530273 (E_RNA) where: Base-Base interactions energy: -10.982 where: short stacking energy: -10.982 Base-Backbone interact. energy: -0.112 local terms energy: -27.436123 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -44.757104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.757104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.757104 (E_RNA) where: Base-Base interactions energy: -12.641 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.058 local terms energy: -32.058224 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -6.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -38.145944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.145944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.145944 (E_RNA) where: Base-Base interactions energy: -9.862 where: short stacking energy: -9.862 Base-Backbone interact. energy: -0.053 local terms energy: -28.231386 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -6.798 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -3.917 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: 7, replica: 10 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -33.599669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.599669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.599669 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.000 local terms energy: -25.499805 where: bonds (distance) C4'-P energy: -6.220 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -2.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -30.438717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.438717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.438717 (E_RNA) where: Base-Base interactions energy: -4.992 where: short stacking energy: -4.992 Base-Backbone interact. energy: -0.097 local terms energy: -25.349553 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -32.223703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.223703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.223703 (E_RNA) where: Base-Base interactions energy: -7.735 where: short stacking energy: -7.735 Base-Backbone interact. energy: -0.085 local terms energy: -24.404344 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.077 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -33.146992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.146992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.146992 (E_RNA) where: Base-Base interactions energy: -6.900 where: short stacking energy: -6.900 Base-Backbone interact. energy: -0.005 local terms energy: -26.241469 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -45.765082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.765082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.765082 (E_RNA) where: Base-Base interactions energy: -14.810 where: short stacking energy: -14.810 Base-Backbone interact. energy: -0.060 local terms energy: -30.895515 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -6.136 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: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -41.819531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.819531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.819531 (E_RNA) where: Base-Base interactions energy: -11.172 where: short stacking energy: -11.172 Base-Backbone interact. energy: -0.005 local terms energy: -30.642841 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -36.342033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.342033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.342033 (E_RNA) where: Base-Base interactions energy: -8.583 where: short stacking energy: -8.583 Base-Backbone interact. energy: -0.105 local terms energy: -27.654029 where: bonds (distance) C4'-P energy: -5.051 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.296 flat angles P-C4'-P energy: -4.222 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: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -45.014918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.014918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.014918 (E_RNA) where: Base-Base interactions energy: -13.311 where: short stacking energy: -13.311 Base-Backbone interact. energy: -0.000 local terms energy: -31.703918 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -2.204 tors. eta vs tors. theta energy: -7.343 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: 5, replica: 8 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -35.801363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.801363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.801363 (E_RNA) where: Base-Base interactions energy: -10.721 where: short stacking energy: -10.721 Base-Backbone interact. energy: -0.088 local terms energy: -24.992616 where: bonds (distance) C4'-P energy: -6.021 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -33.558242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.558242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.558242 (E_RNA) where: Base-Base interactions energy: -6.187 where: short stacking energy: -5.110 Base-Backbone interact. energy: -0.047 local terms energy: -27.324489 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -7.363 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -40.711228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.711228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.711228 (E_RNA) where: Base-Base interactions energy: -11.867 where: short stacking energy: -11.867 Base-Backbone interact. energy: -0.001 local terms energy: -28.843210 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -5.328 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: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -34.966078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.966078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.966078 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -5.656 Base-Backbone interact. energy: -0.080 local terms energy: -29.229383 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -5.837 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: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -30.768605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.768605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.768605 (E_RNA) where: Base-Base interactions energy: -2.597 where: short stacking energy: -2.597 Base-Backbone interact. energy: -1.054 local terms energy: -27.117444 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -5.386 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: 10, replica: 3 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -29.095464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.095464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.095464 (E_RNA) where: Base-Base interactions energy: -2.722 where: short stacking energy: -2.722 Base-Backbone interact. energy: -0.204 local terms energy: -26.170134 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -3.610 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: 1, replica: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -42.044067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.044067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.044067 (E_RNA) where: Base-Base interactions energy: -12.221 where: short stacking energy: -12.459 Base-Backbone interact. energy: -0.031 local terms energy: -29.791666 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -6.927 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -2.574 tors. eta vs tors. theta energy: -6.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -39.891346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.891346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.891346 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.008 local terms energy: -26.834749 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -40.359987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.359987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.359987 (E_RNA) where: Base-Base interactions energy: -14.074 where: short stacking energy: -14.074 Base-Backbone interact. energy: -0.001 local terms energy: -26.285259 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -5.718 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -4.171 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: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -38.995910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.995910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.995910 (E_RNA) where: Base-Base interactions energy: -13.157 where: short stacking energy: -13.157 Base-Backbone interact. energy: -0.002 local terms energy: -25.836315 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -36.824795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.824795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.824795 (E_RNA) where: Base-Base interactions energy: -5.967 where: short stacking energy: -5.967 Base-Backbone interact. energy: -0.093 local terms energy: -30.765103 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -38.793044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.793044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.793044 (E_RNA) where: Base-Base interactions energy: -8.177 where: short stacking energy: -8.177 Base-Backbone interact. energy: -0.000 local terms energy: -30.616288 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -3.588 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: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -33.553173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.553173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.553173 (E_RNA) where: Base-Base interactions energy: -6.337 where: short stacking energy: -6.337 Base-Backbone interact. energy: -0.002 local terms energy: -27.214034 where: bonds (distance) C4'-P energy: -6.997 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -4.694 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: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -32.092293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.092293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.092293 (E_RNA) where: Base-Base interactions energy: -5.780 where: short stacking energy: -3.962 Base-Backbone interact. energy: 0.123 local terms energy: -26.434910 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -33.608293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.608293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.608293 (E_RNA) where: Base-Base interactions energy: -6.458 where: short stacking energy: -6.458 Base-Backbone interact. energy: -0.043 local terms energy: -27.107224 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -31.869703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.869703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.869703 (E_RNA) where: Base-Base interactions energy: -7.167 where: short stacking energy: -7.167 Base-Backbone interact. energy: 0.330 local terms energy: -25.032659 where: bonds (distance) C4'-P energy: -6.517 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -2.428 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: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -42.535703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.535703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.535703 (E_RNA) where: Base-Base interactions energy: -10.451 where: short stacking energy: -11.051 Base-Backbone interact. energy: -0.003 local terms energy: -32.081521 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -5.619 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: 138 Temperature: 0.950000 Total energy: -42.766905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.766905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.766905 (E_RNA) where: Base-Base interactions energy: -12.270 where: short stacking energy: -12.270 Base-Backbone interact. energy: -0.000 local terms energy: -30.496391 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -6.457 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: 3, replica: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -39.435931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.435931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.435931 (E_RNA) where: Base-Base interactions energy: -7.205 where: short stacking energy: -7.205 Base-Backbone interact. energy: -0.000 local terms energy: -32.230086 where: bonds (distance) C4'-P energy: -7.742 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.095 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -3.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -40.997776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.997776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.997776 (E_RNA) where: Base-Base interactions energy: -12.878 where: short stacking energy: -12.878 Base-Backbone interact. energy: -0.001 local terms energy: -28.119215 where: bonds (distance) C4'-P energy: -3.847 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -4.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -39.103825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.103825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.103825 (E_RNA) where: Base-Base interactions energy: -11.344 where: short stacking energy: -11.344 Base-Backbone interact. energy: -0.000 local terms energy: -27.759979 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -35.427110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.427110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.427110 (E_RNA) where: Base-Base interactions energy: -8.835 where: short stacking energy: -8.835 Base-Backbone interact. energy: -0.210 local terms energy: -26.381958 where: bonds (distance) C4'-P energy: -4.841 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -3.120 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: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -34.567371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.567371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.567371 (E_RNA) where: Base-Base interactions energy: -7.892 where: short stacking energy: -7.892 Base-Backbone interact. energy: -0.016 local terms energy: -26.659659 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -38.728390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.728390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.728390 (E_RNA) where: Base-Base interactions energy: -11.911 where: short stacking energy: -11.911 Base-Backbone interact. energy: -0.010 local terms energy: -26.807419 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: 0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -30.746736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.746736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.746736 (E_RNA) where: Base-Base interactions energy: -8.282 where: short stacking energy: -6.661 Base-Backbone interact. energy: -0.258 local terms energy: -22.207181 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -2.368 tors. eta vs tors. theta energy: 1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -31.792545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.792545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.792545 (E_RNA) where: Base-Base interactions energy: -6.703 where: short stacking energy: -6.703 Base-Backbone interact. energy: 0.512 local terms energy: -25.601556 where: bonds (distance) C4'-P energy: -6.874 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -4.943 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: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -49.774480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.774480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.774480 (E_RNA) where: Base-Base interactions energy: -17.562 where: short stacking energy: -17.662 Base-Backbone interact. energy: -0.086 local terms energy: -32.126919 where: bonds (distance) C4'-P energy: -6.820 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -37.849580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.849580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.849580 (E_RNA) where: Base-Base interactions energy: -13.517 where: short stacking energy: -12.219 Base-Backbone interact. energy: -0.009 local terms energy: -24.323462 where: bonds (distance) C4'-P energy: -7.610 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -1.991 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -40.478142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.478142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.478142 (E_RNA) where: Base-Base interactions energy: -11.690 where: short stacking energy: -11.690 Base-Backbone interact. energy: 1.229 local terms energy: -30.017705 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.678 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -39.295699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.295699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.295699 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.020 local terms energy: -28.297458 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -3.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -37.227363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.227363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.227363 (E_RNA) where: Base-Base interactions energy: -11.172 where: short stacking energy: -11.172 Base-Backbone interact. energy: -0.036 local terms energy: -26.019405 where: bonds (distance) C4'-P energy: -1.363 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -40.586532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.586532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.586532 (E_RNA) where: Base-Base interactions energy: -10.460 where: short stacking energy: -10.460 Base-Backbone interact. energy: -0.037 local terms energy: -30.088818 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -4.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -30.210837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.210837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.210837 (E_RNA) where: Base-Base interactions energy: -5.026 where: short stacking energy: -5.026 Base-Backbone interact. energy: -0.005 local terms energy: -25.180495 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -4.168 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: 8, replica: 3 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -31.060203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.060203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.060203 (E_RNA) where: Base-Base interactions energy: -5.737 where: short stacking energy: -5.737 Base-Backbone interact. energy: -0.102 local terms energy: -25.221819 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -1.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -36.420484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.420484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.420484 (E_RNA) where: Base-Base interactions energy: -8.310 where: short stacking energy: -8.310 Base-Backbone interact. energy: -0.022 local terms energy: -28.088826 where: bonds (distance) C4'-P energy: -5.081 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -5.846 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: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -32.927086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.927086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.927086 (E_RNA) where: Base-Base interactions energy: -7.190 where: short stacking energy: -7.190 Base-Backbone interact. energy: -0.019 local terms energy: -25.717751 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -3.408 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: 1, replica: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -51.120672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.120672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.120672 (E_RNA) where: Base-Base interactions energy: -16.069 where: short stacking energy: -16.069 Base-Backbone interact. energy: -0.008 local terms energy: -35.043692 where: bonds (distance) C4'-P energy: -6.526 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -7.853 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: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -43.944876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.944876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.944876 (E_RNA) where: Base-Base interactions energy: -13.254 where: short stacking energy: -13.254 Base-Backbone interact. energy: -0.000 local terms energy: -30.690465 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -4.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -41.360013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.360013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.360013 (E_RNA) where: Base-Base interactions energy: -13.134 where: short stacking energy: -13.134 Base-Backbone interact. energy: -0.128 local terms energy: -28.097873 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -5.392 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -39.773274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.773274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.773274 (E_RNA) where: Base-Base interactions energy: -12.003 where: short stacking energy: -9.028 Base-Backbone interact. energy: -0.000 local terms energy: -27.770049 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -5.457 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: 5, replica: 1 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -37.377393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.377393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.377393 (E_RNA) where: Base-Base interactions energy: -14.629 where: short stacking energy: -14.629 Base-Backbone interact. energy: 0.099 local terms energy: -22.847369 where: bonds (distance) C4'-P energy: -4.084 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -3.339 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: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -34.991749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.991749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.991749 (E_RNA) where: Base-Base interactions energy: -6.340 where: short stacking energy: -4.950 Base-Backbone interact. energy: 1.666 local terms energy: -30.317046 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -39.880292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.880292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.880292 (E_RNA) where: Base-Base interactions energy: -10.766 where: short stacking energy: -10.766 Base-Backbone interact. energy: -0.010 local terms energy: -29.103952 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -7.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -34.468583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.468583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.468583 (E_RNA) where: Base-Base interactions energy: -5.312 where: short stacking energy: -5.312 Base-Backbone interact. energy: -0.001 local terms energy: -29.156249 where: bonds (distance) C4'-P energy: -6.182 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -33.010654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.010654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.010654 (E_RNA) where: Base-Base interactions energy: -6.252 where: short stacking energy: -6.252 Base-Backbone interact. energy: -0.040 local terms energy: -26.719026 where: bonds (distance) C4'-P energy: -4.600 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -6.159 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: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -31.332000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.332000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.332000 (E_RNA) where: Base-Base interactions energy: -7.872 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.063 local terms energy: -23.397094 where: bonds (distance) C4'-P energy: -6.135 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -1.938 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -45.377296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.377296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.377296 (E_RNA) where: Base-Base interactions energy: -13.113 where: short stacking energy: -13.113 Base-Backbone interact. energy: -0.529 local terms energy: -31.735968 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -5.952 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: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -38.833946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.833946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.833946 (E_RNA) where: Base-Base interactions energy: -7.914 where: short stacking energy: -7.914 Base-Backbone interact. energy: -0.069 local terms energy: -30.850827 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -6.799 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: 3, replica: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -38.960723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.960723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.960723 (E_RNA) where: Base-Base interactions energy: -9.844 where: short stacking energy: -9.844 Base-Backbone interact. energy: -0.797 local terms energy: -28.320160 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -40.336423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.336423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.336423 (E_RNA) where: Base-Base interactions energy: -13.571 where: short stacking energy: -13.571 Base-Backbone interact. energy: -0.003 local terms energy: -26.761905 where: bonds (distance) C4'-P energy: -5.213 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -1.984 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: 5, replica: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -36.650406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.650406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.650406 (E_RNA) where: Base-Base interactions energy: -11.213 where: short stacking energy: -11.213 Base-Backbone interact. energy: -0.074 local terms energy: -25.363534 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -5.632 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -6.377 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: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -38.694355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.694355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.694355 (E_RNA) where: Base-Base interactions energy: -13.058 where: short stacking energy: -13.058 Base-Backbone interact. energy: -0.000 local terms energy: -25.636035 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -3.713 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: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -34.813174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.813174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.813174 (E_RNA) where: Base-Base interactions energy: -8.535 where: short stacking energy: -8.535 Base-Backbone interact. energy: -0.634 local terms energy: -25.644289 where: bonds (distance) C4'-P energy: -5.226 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -2.333 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -32.519890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.519890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.519890 (E_RNA) where: Base-Base interactions energy: -5.409 where: short stacking energy: -3.331 Base-Backbone interact. energy: -0.009 local terms energy: -27.102366 where: bonds (distance) C4'-P energy: -6.836 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -4.927 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: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -32.115456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.115456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.115456 (E_RNA) where: Base-Base interactions energy: -2.476 where: short stacking energy: -2.476 Base-Backbone interact. energy: -0.017 local terms energy: -29.622532 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -7.075 tors. eta vs tors. theta energy: -3.641 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: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -33.755336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.755336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.755336 (E_RNA) where: Base-Base interactions energy: -6.164 where: short stacking energy: -6.164 Base-Backbone interact. energy: -0.079 local terms energy: -27.511806 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -5.645 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: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -45.024331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.024331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.024331 (E_RNA) where: Base-Base interactions energy: -15.988 where: short stacking energy: -13.858 Base-Backbone interact. energy: -0.025 local terms energy: -29.011819 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -5.140 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: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -42.465958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.465958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.465958 (E_RNA) where: Base-Base interactions energy: -13.643 where: short stacking energy: -13.643 Base-Backbone interact. energy: -0.081 local terms energy: -28.742136 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -45.655290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.655290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.655290 (E_RNA) where: Base-Base interactions energy: -12.786 where: short stacking energy: -12.786 Base-Backbone interact. energy: -0.009 local terms energy: -32.860169 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -4.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -37.811378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.811378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.811378 (E_RNA) where: Base-Base interactions energy: -10.794 where: short stacking energy: -10.794 Base-Backbone interact. energy: -0.001 local terms energy: -27.016365 where: bonds (distance) C4'-P energy: -6.563 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.318 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: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -33.968422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.968422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.968422 (E_RNA) where: Base-Base interactions energy: -4.919 where: short stacking energy: -4.785 Base-Backbone interact. energy: -0.000 local terms energy: -29.049400 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -4.990 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: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -34.526730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.526730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.526730 (E_RNA) where: Base-Base interactions energy: -6.877 where: short stacking energy: -6.877 Base-Backbone interact. energy: -0.029 local terms energy: -27.620067 where: bonds (distance) C4'-P energy: -6.311 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -35.892291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.892291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.892291 (E_RNA) where: Base-Base interactions energy: -6.467 where: short stacking energy: -6.467 Base-Backbone interact. energy: -0.099 local terms energy: -29.326426 where: bonds (distance) C4'-P energy: -5.457 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -30.343694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.343694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.343694 (E_RNA) where: Base-Base interactions energy: -5.259 where: short stacking energy: -5.259 Base-Backbone interact. energy: -0.052 local terms energy: -25.033596 where: bonds (distance) C4'-P energy: -3.909 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -1.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -34.247177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.247177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.247177 (E_RNA) where: Base-Base interactions energy: -9.093 where: short stacking energy: -6.018 Base-Backbone interact. energy: -0.016 local terms energy: -25.138143 where: bonds (distance) C4'-P energy: -6.401 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -3.248 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: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -29.169289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.169289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.169289 (E_RNA) where: Base-Base interactions energy: -7.056 where: short stacking energy: -7.056 Base-Backbone interact. energy: -0.007 local terms energy: -22.106454 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -2.005 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -46.400143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.400143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.400143 (E_RNA) where: Base-Base interactions energy: -16.786 where: short stacking energy: -16.786 Base-Backbone interact. energy: -0.001 local terms energy: -29.612815 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -6.633 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -4.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -42.965257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.965257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.965257 (E_RNA) where: Base-Base interactions energy: -13.023 where: short stacking energy: -12.084 Base-Backbone interact. energy: -0.012 local terms energy: -29.930917 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -5.469 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: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -38.923039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.923039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.923039 (E_RNA) where: Base-Base interactions energy: -6.988 where: short stacking energy: -6.988 Base-Backbone interact. energy: -0.000 local terms energy: -31.935326 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -4.554 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: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -37.043536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.043536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.043536 (E_RNA) where: Base-Base interactions energy: -7.044 where: short stacking energy: -7.044 Base-Backbone interact. energy: -0.000 local terms energy: -29.999520 where: bonds (distance) C4'-P energy: -6.546 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -4.701 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: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -35.661832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.661832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.661832 (E_RNA) where: Base-Base interactions energy: -8.223 where: short stacking energy: -8.223 Base-Backbone interact. energy: -0.003 local terms energy: -27.435989 where: bonds (distance) C4'-P energy: -6.820 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -1.479 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: 6, replica: 10 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -38.698717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.698717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.698717 (E_RNA) where: Base-Base interactions energy: -12.058 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.146 local terms energy: -26.493939 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -0.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -30.137541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.137541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.137541 (E_RNA) where: Base-Base interactions energy: -5.999 where: short stacking energy: -5.999 Base-Backbone interact. energy: -0.000 local terms energy: -24.138984 where: bonds (distance) C4'-P energy: -5.980 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -1.528 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: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -37.824811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.824811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.824811 (E_RNA) where: Base-Base interactions energy: -11.174 where: short stacking energy: -11.174 Base-Backbone interact. energy: -0.068 local terms energy: -26.582427 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -1.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -29.441936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.441936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.441936 (E_RNA) where: Base-Base interactions energy: -9.042 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.001 local terms energy: -20.398998 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -4.877 flat angles C4'-P-C4' energy: -3.153 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: 0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -31.407513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.407513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.407513 (E_RNA) where: Base-Base interactions energy: -7.523 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.006 local terms energy: -23.878511 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -1.169 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -47.463238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.463238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.463238 (E_RNA) where: Base-Base interactions energy: -18.424 where: short stacking energy: -18.424 Base-Backbone interact. energy: -0.029 local terms energy: -29.009419 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -6.222 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: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -48.468152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.468152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.468152 (E_RNA) where: Base-Base interactions energy: -15.892 where: short stacking energy: -15.598 Base-Backbone interact. energy: -0.012 local terms energy: -32.564229 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -5.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -38.411859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.411859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.411859 (E_RNA) where: Base-Base interactions energy: -12.316 where: short stacking energy: -12.316 Base-Backbone interact. energy: -0.155 local terms energy: -25.941160 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -36.463224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.463224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.463224 (E_RNA) where: Base-Base interactions energy: -10.985 where: short stacking energy: -10.985 Base-Backbone interact. energy: -0.051 local terms energy: -25.427508 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -3.225 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: 5, replica: 10 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -39.388164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.388164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.388164 (E_RNA) where: Base-Base interactions energy: -9.589 where: short stacking energy: -10.010 Base-Backbone interact. energy: -0.145 local terms energy: -29.653723 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -5.946 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: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -34.180680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.180680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.180680 (E_RNA) where: Base-Base interactions energy: -8.479 where: short stacking energy: -8.479 Base-Backbone interact. energy: -0.098 local terms energy: -25.602877 where: bonds (distance) C4'-P energy: -7.871 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -2.325 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: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -37.416265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.416265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.416265 (E_RNA) where: Base-Base interactions energy: -10.623 where: short stacking energy: -10.623 Base-Backbone interact. energy: -0.000 local terms energy: -26.792878 where: bonds (distance) C4'-P energy: -4.927 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -3.685 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: 8, replica: 6 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -34.899519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.899519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.899519 (E_RNA) where: Base-Base interactions energy: -6.873 where: short stacking energy: -5.418 Base-Backbone interact. energy: -0.313 local terms energy: -27.713570 where: bonds (distance) C4'-P energy: -6.303 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.962 flat angles P-C4'-P energy: -5.080 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: 144 Temperature: 1.300000 Total energy: -29.308750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.308750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.308750 (E_RNA) where: Base-Base interactions energy: -5.173 where: short stacking energy: -5.173 Base-Backbone interact. energy: -0.321 local terms energy: -23.814973 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -6.932 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -4.336 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: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -29.408097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.408097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.408097 (E_RNA) where: Base-Base interactions energy: -3.713 where: short stacking energy: -3.713 Base-Backbone interact. energy: -0.088 local terms energy: -25.607292 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -3.000 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: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -41.872038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.872038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.872038 (E_RNA) where: Base-Base interactions energy: -14.131 where: short stacking energy: -12.865 Base-Backbone interact. energy: -0.026 local terms energy: -27.715040 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -5.267 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: 2, replica: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -37.696018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.696018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.696018 (E_RNA) where: Base-Base interactions energy: -12.987 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.033 local terms energy: -24.675760 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -2.713 flat angles P-C4'-P energy: -5.107 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: 3, replica: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -42.246007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.246007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.246007 (E_RNA) where: Base-Base interactions energy: -12.538 where: short stacking energy: -12.538 Base-Backbone interact. energy: -0.000 local terms energy: -29.707857 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -36.331328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.331328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.331328 (E_RNA) where: Base-Base interactions energy: -9.723 where: short stacking energy: -9.723 Base-Backbone interact. energy: -0.051 local terms energy: -26.557685 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -5.008 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: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -38.775072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.775072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.775072 (E_RNA) where: Base-Base interactions energy: -11.829 where: short stacking energy: -11.829 Base-Backbone interact. energy: -0.003 local terms energy: -26.942787 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -37.650903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.650903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.650903 (E_RNA) where: Base-Base interactions energy: -9.361 where: short stacking energy: -9.361 Base-Backbone interact. energy: -0.109 local terms energy: -28.180715 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -3.061 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: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -37.360088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.360088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.360088 (E_RNA) where: Base-Base interactions energy: -10.668 where: short stacking energy: -10.668 Base-Backbone interact. energy: -0.060 local terms energy: -26.632676 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: 0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -32.523877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.523877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.523877 (E_RNA) where: Base-Base interactions energy: -6.720 where: short stacking energy: -6.720 Base-Backbone interact. energy: -0.100 local terms energy: -25.703743 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -3.745 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: 9, replica: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -32.930649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.930649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.930649 (E_RNA) where: Base-Base interactions energy: -7.923 where: short stacking energy: -7.713 Base-Backbone interact. energy: -0.001 local terms energy: -25.006633 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -5.246 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: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -34.880855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.880855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.880855 (E_RNA) where: Base-Base interactions energy: -11.241 where: short stacking energy: -11.241 Base-Backbone interact. energy: -0.037 local terms energy: -23.602402 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -44.245953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.245953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.245953 (E_RNA) where: Base-Base interactions energy: -14.289 where: short stacking energy: -14.289 Base-Backbone interact. energy: -0.074 local terms energy: -29.882609 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.231 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -3.870 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: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -43.306992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.306992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.306992 (E_RNA) where: Base-Base interactions energy: -14.860 where: short stacking energy: -14.960 Base-Backbone interact. energy: -0.115 local terms energy: -28.331507 where: bonds (distance) C4'-P energy: -7.987 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -1.185 tors. eta vs tors. theta energy: -5.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -38.882222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.882222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.882222 (E_RNA) where: Base-Base interactions energy: -16.404 where: short stacking energy: -16.404 Base-Backbone interact. energy: -0.166 local terms energy: -22.311802 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -6.276 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -2.988 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: 4, replica: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -45.278585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.278585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.278585 (E_RNA) where: Base-Base interactions energy: -13.227 where: short stacking energy: -13.227 Base-Backbone interact. energy: -0.007 local terms energy: -32.044108 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -39.030779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.030779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.030779 (E_RNA) where: Base-Base interactions energy: -12.564 where: short stacking energy: -11.725 Base-Backbone interact. energy: -0.000 local terms energy: -26.466200 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -1.745 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: 6, replica: 10 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -39.420167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.420167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.420167 (E_RNA) where: Base-Base interactions energy: -11.214 where: short stacking energy: -10.003 Base-Backbone interact. energy: -0.001 local terms energy: -28.205107 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -4.872 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: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -36.626434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.626434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.626434 (E_RNA) where: Base-Base interactions energy: -8.207 where: short stacking energy: -8.207 Base-Backbone interact. energy: -0.011 local terms energy: -28.409050 where: bonds (distance) C4'-P energy: -6.882 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: 0.600 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: 8, replica: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -33.882205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.882205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.882205 (E_RNA) where: Base-Base interactions energy: -9.394 where: short stacking energy: -9.394 Base-Backbone interact. energy: -0.113 local terms energy: -24.374452 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -2.335 flat angles P-C4'-P energy: -4.592 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: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -32.718408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.718408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.718408 (E_RNA) where: Base-Base interactions energy: -7.041 where: short stacking energy: -7.041 Base-Backbone interact. energy: -0.037 local terms energy: -25.639957 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.206 flat angles C4'-P-C4' energy: -2.958 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -33.784123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.784123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.784123 (E_RNA) where: Base-Base interactions energy: -6.051 where: short stacking energy: -6.051 Base-Backbone interact. energy: -0.018 local terms energy: -27.715591 where: bonds (distance) C4'-P energy: -6.174 bonds (distance) P-C4' energy: -7.349 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -5.435 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: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -40.394519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.394519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.394519 (E_RNA) where: Base-Base interactions energy: -12.784 where: short stacking energy: -12.784 Base-Backbone interact. energy: -0.023 local terms energy: -27.587983 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.237 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -4.980 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: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -43.726453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.726453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.726453 (E_RNA) where: Base-Base interactions energy: -15.010 where: short stacking energy: -15.010 Base-Backbone interact. energy: -0.022 local terms energy: -28.694383 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -4.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -44.836801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.836801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.836801 (E_RNA) where: Base-Base interactions energy: -12.592 where: short stacking energy: -12.592 Base-Backbone interact. energy: -0.178 local terms energy: -32.067143 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -5.448 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: 4, replica: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -41.568499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.568499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.568499 (E_RNA) where: Base-Base interactions energy: -14.570 where: short stacking energy: -14.570 Base-Backbone interact. energy: -0.181 local terms energy: -26.817564 where: bonds (distance) C4'-P energy: -5.420 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -36.728018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.728018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.728018 (E_RNA) where: Base-Base interactions energy: -10.132 where: short stacking energy: -10.132 Base-Backbone interact. energy: -0.067 local terms energy: -26.528303 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -5.237 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: 6, replica: 10 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -35.800611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.800611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.800611 (E_RNA) where: Base-Base interactions energy: -9.319 where: short stacking energy: -9.319 Base-Backbone interact. energy: -0.004 local terms energy: -26.476959 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -3.404 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -33.670685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.670685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.670685 (E_RNA) where: Base-Base interactions energy: -6.002 where: short stacking energy: -5.001 Base-Backbone interact. energy: -0.149 local terms energy: -27.519498 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -3.975 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: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -33.448807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.448807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.448807 (E_RNA) where: Base-Base interactions energy: -6.342 where: short stacking energy: -6.342 Base-Backbone interact. energy: -0.057 local terms energy: -27.050101 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -5.629 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -3.332 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -30.879798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.879798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.879798 (E_RNA) where: Base-Base interactions energy: -9.269 where: short stacking energy: -9.269 Base-Backbone interact. energy: -0.021 local terms energy: -21.589974 where: bonds (distance) C4'-P energy: -6.314 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: 0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -34.838622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.838622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.838622 (E_RNA) where: Base-Base interactions energy: -7.188 where: short stacking energy: -7.188 Base-Backbone interact. energy: -0.034 local terms energy: -27.616938 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -5.243 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: 1, replica: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -44.438402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.438402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.438402 (E_RNA) where: Base-Base interactions energy: -15.312 where: short stacking energy: -15.312 Base-Backbone interact. energy: -0.106 local terms energy: -29.021023 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -4.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -44.130591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.130591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.130591 (E_RNA) where: Base-Base interactions energy: -10.616 where: short stacking energy: -10.616 Base-Backbone interact. energy: -0.097 local terms energy: -33.418020 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -42.347812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.347812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.347812 (E_RNA) where: Base-Base interactions energy: -17.133 where: short stacking energy: -16.339 Base-Backbone interact. energy: -0.051 local terms energy: -25.163937 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -42.432327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.432327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.432327 (E_RNA) where: Base-Base interactions energy: -10.702 where: short stacking energy: -10.702 Base-Backbone interact. energy: -0.007 local terms energy: -31.723639 where: bonds (distance) C4'-P energy: -8.405 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -37.827131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.827131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.827131 (E_RNA) where: Base-Base interactions energy: -10.841 where: short stacking energy: -10.841 Base-Backbone interact. energy: 1.346 local terms energy: -28.331747 where: bonds (distance) C4'-P energy: -6.219 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -5.593 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: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -35.827205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.827205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.827205 (E_RNA) where: Base-Base interactions energy: -6.984 where: short stacking energy: -7.671 Base-Backbone interact. energy: -0.003 local terms energy: -28.840443 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -6.395 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: 7, replica: 7 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -39.330633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.330633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.330633 (E_RNA) where: Base-Base interactions energy: -8.813 where: short stacking energy: -8.813 Base-Backbone interact. energy: -0.083 local terms energy: -30.434427 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -35.989479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.989479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.989479 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.055 local terms energy: -28.909542 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -3.415 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: 9, replica: 6 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -31.355354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.355354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.355354 (E_RNA) where: Base-Base interactions energy: -6.736 where: short stacking energy: -6.736 Base-Backbone interact. energy: -0.000 local terms energy: -24.619106 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -3.810 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -33.498071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.498071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.498071 (E_RNA) where: Base-Base interactions energy: -5.669 where: short stacking energy: -5.669 Base-Backbone interact. energy: -0.067 local terms energy: -27.761961 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -3.629 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: 1, replica: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -47.596537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.596537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.596537 (E_RNA) where: Base-Base interactions energy: -17.497 where: short stacking energy: -9.764 Base-Backbone interact. energy: -0.006 local terms energy: -30.093193 where: bonds (distance) C4'-P energy: -4.551 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -4.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -45.386498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.386498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.386498 (E_RNA) where: Base-Base interactions energy: -14.634 where: short stacking energy: -13.744 Base-Backbone interact. energy: -0.085 local terms energy: -30.667517 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -7.221 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -38.187575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.187575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.187575 (E_RNA) where: Base-Base interactions energy: -12.768 where: short stacking energy: -12.768 Base-Backbone interact. energy: -0.221 local terms energy: -25.199080 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -2.384 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -43.476037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.476037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.476037 (E_RNA) where: Base-Base interactions energy: -13.975 where: short stacking energy: -13.975 Base-Backbone interact. energy: -0.003 local terms energy: -29.498055 where: bonds (distance) C4'-P energy: -4.484 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -6.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -37.388374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.388374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.388374 (E_RNA) where: Base-Base interactions energy: -12.192 where: short stacking energy: -12.192 Base-Backbone interact. energy: -0.001 local terms energy: -25.194844 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -5.838 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -37.900464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.900464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.900464 (E_RNA) where: Base-Base interactions energy: -12.622 where: short stacking energy: -12.622 Base-Backbone interact. energy: -0.181 local terms energy: -25.097308 where: bonds (distance) C4'-P energy: -5.897 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -31.423349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.423349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.423349 (E_RNA) where: Base-Base interactions energy: -5.673 where: short stacking energy: -5.673 Base-Backbone interact. energy: -0.132 local terms energy: -25.617754 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -5.536 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: 8, replica: 6 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -36.146976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.146976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.146976 (E_RNA) where: Base-Base interactions energy: -9.843 where: short stacking energy: -9.843 Base-Backbone interact. energy: -0.029 local terms energy: -26.275072 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -2.623 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -34.950738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.950738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.950738 (E_RNA) where: Base-Base interactions energy: -10.979 where: short stacking energy: -10.030 Base-Backbone interact. energy: -0.358 local terms energy: -23.613762 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -4.006 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -4.009 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: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -36.510777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.510777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.510777 (E_RNA) where: Base-Base interactions energy: -12.497 where: short stacking energy: -12.497 Base-Backbone interact. energy: -0.092 local terms energy: -23.921397 where: bonds (distance) C4'-P energy: -6.476 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -40.471932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.471932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.471932 (E_RNA) where: Base-Base interactions energy: -11.452 where: short stacking energy: -11.452 Base-Backbone interact. energy: -0.039 local terms energy: -28.980243 where: bonds (distance) C4'-P energy: -6.174 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -6.298 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -52.287066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.287066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.287066 (E_RNA) where: Base-Base interactions energy: -22.712 where: short stacking energy: -15.101 Base-Backbone interact. energy: -0.024 local terms energy: -29.551199 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -38.920321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.920321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.920321 (E_RNA) where: Base-Base interactions energy: -8.165 where: short stacking energy: -8.165 Base-Backbone interact. energy: -0.095 local terms energy: -30.660040 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -41.491357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.491357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.491357 (E_RNA) where: Base-Base interactions energy: -12.877 where: short stacking energy: -12.877 Base-Backbone interact. energy: -0.001 local terms energy: -28.613430 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -40.393113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.393113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.393113 (E_RNA) where: Base-Base interactions energy: -9.253 where: short stacking energy: -9.253 Base-Backbone interact. energy: -0.000 local terms energy: -31.139554 where: bonds (distance) C4'-P energy: -5.711 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -33.858164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.858164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.858164 (E_RNA) where: Base-Base interactions energy: -9.985 where: short stacking energy: -9.985 Base-Backbone interact. energy: -0.113 local terms energy: -23.760446 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -4.353 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: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -35.729296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.729296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.729296 (E_RNA) where: Base-Base interactions energy: -7.747 where: short stacking energy: -6.168 Base-Backbone interact. energy: -0.151 local terms energy: -27.831091 where: bonds (distance) C4'-P energy: -6.758 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -5.426 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: 8, replica: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -34.567187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.567187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.567187 (E_RNA) where: Base-Base interactions energy: -8.370 where: short stacking energy: -7.775 Base-Backbone interact. energy: -0.125 local terms energy: -26.072132 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -4.454 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: 9, replica: 4 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -31.815507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.815507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.815507 (E_RNA) where: Base-Base interactions energy: -2.930 where: short stacking energy: -2.930 Base-Backbone interact. energy: -0.034 local terms energy: -28.851016 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -34.471156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.471156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.471156 (E_RNA) where: Base-Base interactions energy: -7.209 where: short stacking energy: -7.209 Base-Backbone interact. energy: 0.820 local terms energy: -28.082729 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -45.703457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.703457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.703457 (E_RNA) where: Base-Base interactions energy: -15.137 where: short stacking energy: -15.396 Base-Backbone interact. energy: -0.000 local terms energy: -30.566267 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -4.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -39.743248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.743248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.743248 (E_RNA) where: Base-Base interactions energy: -9.267 where: short stacking energy: -9.267 Base-Backbone interact. energy: -0.084 local terms energy: -30.392095 where: bonds (distance) C4'-P energy: -6.882 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -3.879 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: 3, replica: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -39.231986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.231986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.231986 (E_RNA) where: Base-Base interactions energy: -10.785 where: short stacking energy: -4.869 Base-Backbone interact. energy: -0.555 local terms energy: -27.891666 where: bonds (distance) C4'-P energy: -5.913 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -40.342666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.342666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.342666 (E_RNA) where: Base-Base interactions energy: -10.900 where: short stacking energy: -10.900 Base-Backbone interact. energy: -1.758 local terms energy: -27.684701 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -4.470 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: 5, replica: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -38.947339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.947339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.947339 (E_RNA) where: Base-Base interactions energy: -12.382 where: short stacking energy: -12.382 Base-Backbone interact. energy: -0.028 local terms energy: -26.536999 where: bonds (distance) C4'-P energy: -5.640 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -5.542 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: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -36.469121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.469121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.469121 (E_RNA) where: Base-Base interactions energy: -10.191 where: short stacking energy: -10.191 Base-Backbone interact. energy: -0.075 local terms energy: -26.202840 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -2.495 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: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -34.686658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.686658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.686658 (E_RNA) where: Base-Base interactions energy: -7.604 where: short stacking energy: -7.604 Base-Backbone interact. energy: -0.015 local terms energy: -27.067467 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -4.286 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: 8, replica: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -30.996780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.996780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.996780 (E_RNA) where: Base-Base interactions energy: -5.735 where: short stacking energy: -5.735 Base-Backbone interact. energy: -0.054 local terms energy: -25.207620 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -4.955 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -1.426 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: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -33.363037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.363037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.363037 (E_RNA) where: Base-Base interactions energy: -4.690 where: short stacking energy: -3.845 Base-Backbone interact. energy: -1.835 local terms energy: -26.837788 where: bonds (distance) C4'-P energy: -6.003 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -28.968410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.968410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.968410 (E_RNA) where: Base-Base interactions energy: -3.934 where: short stacking energy: -3.934 Base-Backbone interact. energy: -0.190 local terms energy: -24.843979 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -7.376 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -51.311510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.311510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.311510 (E_RNA) where: Base-Base interactions energy: -18.631 where: short stacking energy: -13.892 Base-Backbone interact. energy: -2.138 local terms energy: -30.542689 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -7.233 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: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -43.839103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.839103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.839103 (E_RNA) where: Base-Base interactions energy: -16.767 where: short stacking energy: -16.767 Base-Backbone interact. energy: -0.019 local terms energy: -27.053841 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -7.368 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -2.089 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: 3, replica: 1 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -43.567424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.567424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.567424 (E_RNA) where: Base-Base interactions energy: -15.142 where: short stacking energy: -15.142 Base-Backbone interact. energy: -0.000 local terms energy: -28.425507 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.442 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -3.103 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: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -40.914276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.914276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.914276 (E_RNA) where: Base-Base interactions energy: -7.663 where: short stacking energy: -7.663 Base-Backbone interact. energy: -0.001 local terms energy: -33.250594 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -5.798 tors. eta vs tors. theta energy: -4.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -32.613970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.613970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.613970 (E_RNA) where: Base-Base interactions energy: -6.157 where: short stacking energy: -6.157 Base-Backbone interact. energy: -0.488 local terms energy: -25.968459 where: bonds (distance) C4'-P energy: -7.155 bonds (distance) P-C4' energy: -4.871 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -5.375 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: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -32.594333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594333 (E_RNA) where: Base-Base interactions energy: -9.167 where: short stacking energy: -8.696 Base-Backbone interact. energy: 0.575 local terms energy: -24.002241 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -33.395364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.395364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.395364 (E_RNA) where: Base-Base interactions energy: -6.999 where: short stacking energy: -6.999 Base-Backbone interact. energy: -0.230 local terms energy: -26.166732 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -36.431809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.431809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.431809 (E_RNA) where: Base-Base interactions energy: -6.136 where: short stacking energy: -6.136 Base-Backbone interact. energy: -0.040 local terms energy: -30.255997 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -5.490 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: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -33.328410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.328410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.328410 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.629 local terms energy: -23.101432 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -2.332 flat angles P-C4'-P energy: -4.531 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: 10, replica: 5 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -34.315152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.315152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.315152 (E_RNA) where: Base-Base interactions energy: -5.856 where: short stacking energy: -5.856 Base-Backbone interact. energy: -0.004 local terms energy: -28.455156 where: bonds (distance) C4'-P energy: -6.029 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -41.567864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.567864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.567864 (E_RNA) where: Base-Base interactions energy: -12.963 where: short stacking energy: -11.836 Base-Backbone interact. energy: -0.136 local terms energy: -28.468860 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -6.854 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: 2, replica: 1 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -36.766034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.766034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.766034 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: 1.392 local terms energy: -30.538169 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -5.382 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: 3, replica: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -43.421699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.421699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.421699 (E_RNA) where: Base-Base interactions energy: -17.149 where: short stacking energy: -17.149 Base-Backbone interact. energy: -0.057 local terms energy: -26.215314 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -6.473 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -39.047807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.047807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.047807 (E_RNA) where: Base-Base interactions energy: -10.929 where: short stacking energy: -10.929 Base-Backbone interact. energy: -0.003 local terms energy: -28.116094 where: bonds (distance) C4'-P energy: -6.352 bonds (distance) P-C4' energy: -5.786 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -5.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -35.605542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.605542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.605542 (E_RNA) where: Base-Base interactions energy: -8.586 where: short stacking energy: -8.586 Base-Backbone interact. energy: -0.001 local terms energy: -27.018221 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -3.474 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: 6, replica: 4 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -36.994150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.994150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.994150 (E_RNA) where: Base-Base interactions energy: -9.893 where: short stacking energy: -8.508 Base-Backbone interact. energy: -0.101 local terms energy: -26.999813 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -34.893103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.893103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.893103 (E_RNA) where: Base-Base interactions energy: -8.728 where: short stacking energy: -7.152 Base-Backbone interact. energy: -0.992 local terms energy: -25.172985 where: bonds (distance) C4'-P energy: -6.145 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: 0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -38.909378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.909378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.909378 (E_RNA) where: Base-Base interactions energy: -11.477 where: short stacking energy: -11.477 Base-Backbone interact. energy: 0.077 local terms energy: -27.509147 where: bonds (distance) C4'-P energy: -6.149 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -6.798 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: 9, replica: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -40.424370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.424370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.424370 (E_RNA) where: Base-Base interactions energy: -16.552 where: short stacking energy: -16.552 Base-Backbone interact. energy: 2.662 local terms energy: -26.534128 where: bonds (distance) C4'-P energy: -2.303 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -31.878270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.878270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.878270 (E_RNA) where: Base-Base interactions energy: -6.002 where: short stacking energy: -6.002 Base-Backbone interact. energy: -0.028 local terms energy: -25.848258 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: 0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -49.709583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.709583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.709583 (E_RNA) where: Base-Base interactions energy: -17.727 where: short stacking energy: -17.727 Base-Backbone interact. energy: -0.004 local terms energy: -31.979085 where: bonds (distance) C4'-P energy: -6.128 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -4.350 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: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -41.358830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.358830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.358830 (E_RNA) where: Base-Base interactions energy: -15.083 where: short stacking energy: -15.083 Base-Backbone interact. energy: -0.008 local terms energy: -26.267562 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -7.371 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -4.087 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: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -37.341354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.341354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.341354 (E_RNA) where: Base-Base interactions energy: -7.725 where: short stacking energy: -7.499 Base-Backbone interact. energy: -0.015 local terms energy: -29.601019 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -35.593638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.593638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.593638 (E_RNA) where: Base-Base interactions energy: -8.753 where: short stacking energy: -8.005 Base-Backbone interact. energy: -0.107 local terms energy: -26.733806 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -38.463175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.463175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.463175 (E_RNA) where: Base-Base interactions energy: -9.657 where: short stacking energy: -9.657 Base-Backbone interact. energy: -0.190 local terms energy: -28.616952 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -0.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -35.961051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.961051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.961051 (E_RNA) where: Base-Base interactions energy: -9.944 where: short stacking energy: -9.500 Base-Backbone interact. energy: -0.000 local terms energy: -26.016276 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -33.455688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.455688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.455688 (E_RNA) where: Base-Base interactions energy: -7.626 where: short stacking energy: -7.626 Base-Backbone interact. energy: 1.018 local terms energy: -26.847567 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -5.181 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: 8, replica: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -32.340833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.340833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.340833 (E_RNA) where: Base-Base interactions energy: -4.588 where: short stacking energy: -4.588 Base-Backbone interact. energy: -0.227 local terms energy: -27.526159 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.254 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: 9, replica: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -29.429305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.429305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.429305 (E_RNA) where: Base-Base interactions energy: -6.481 where: short stacking energy: -6.481 Base-Backbone interact. energy: -0.289 local terms energy: -22.659380 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -0.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -31.316045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.316045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.316045 (E_RNA) where: Base-Base interactions energy: -7.344 where: short stacking energy: -7.550 Base-Backbone interact. energy: -0.029 local terms energy: -23.943621 where: bonds (distance) C4'-P energy: -5.398 bonds (distance) P-C4' energy: -6.774 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -43.547200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.547200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.547200 (E_RNA) where: Base-Base interactions energy: -14.515 where: short stacking energy: -13.807 Base-Backbone interact. energy: -1.571 local terms energy: -27.461424 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -48.500833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.500833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.500833 (E_RNA) where: Base-Base interactions energy: -13.265 where: short stacking energy: -13.265 Base-Backbone interact. energy: -0.006 local terms energy: -35.229739 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -6.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -40.918989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.918989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.918989 (E_RNA) where: Base-Base interactions energy: -7.663 where: short stacking energy: -7.663 Base-Backbone interact. energy: -0.000 local terms energy: -33.255581 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -5.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -38.338622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.338622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.338622 (E_RNA) where: Base-Base interactions energy: -8.800 where: short stacking energy: -8.800 Base-Backbone interact. energy: -0.000 local terms energy: -29.538139 where: bonds (distance) C4'-P energy: -6.562 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -6.583 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: 5, replica: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -38.116220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.116220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.116220 (E_RNA) where: Base-Base interactions energy: -7.451 where: short stacking energy: -7.451 Base-Backbone interact. energy: -0.001 local terms energy: -30.664208 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -30.866493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.866493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.866493 (E_RNA) where: Base-Base interactions energy: -7.011 where: short stacking energy: -7.011 Base-Backbone interact. energy: -0.238 local terms energy: -23.617859 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -5.454 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: 7, replica: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -35.781946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.781946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.781946 (E_RNA) where: Base-Base interactions energy: -8.951 where: short stacking energy: -5.852 Base-Backbone interact. energy: -0.053 local terms energy: -26.777853 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -4.167 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: 8, replica: 3 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -39.047804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.047804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.047804 (E_RNA) where: Base-Base interactions energy: -11.809 where: short stacking energy: -11.809 Base-Backbone interact. energy: -0.000 local terms energy: -27.238206 where: bonds (distance) C4'-P energy: -4.078 bonds (distance) P-C4' energy: -6.798 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -40.201078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.201078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.201078 (E_RNA) where: Base-Base interactions energy: -11.354 where: short stacking energy: -11.354 Base-Backbone interact. energy: -0.056 local terms energy: -28.790768 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -2.523 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: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -30.426933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.426933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.426933 (E_RNA) where: Base-Base interactions energy: -7.864 where: short stacking energy: -4.657 Base-Backbone interact. energy: -0.970 local terms energy: -21.592890 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: 1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -47.022389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.022389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.022389 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.068 local terms energy: -32.884327 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -6.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -43.018051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.018051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.018051 (E_RNA) where: Base-Base interactions energy: -9.148 where: short stacking energy: -9.148 Base-Backbone interact. energy: -1.053 local terms energy: -32.817915 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -6.074 tors. eta vs tors. theta energy: -4.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -40.758011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.758011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.758011 (E_RNA) where: Base-Base interactions energy: -11.280 where: short stacking energy: -11.280 Base-Backbone interact. energy: -0.092 local terms energy: -29.385838 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -5.793 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: 4, replica: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -40.020519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.020519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.020519 (E_RNA) where: Base-Base interactions energy: -9.405 where: short stacking energy: -9.405 Base-Backbone interact. energy: -0.000 local terms energy: -30.615090 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -4.385 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: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -43.343352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.343352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.343352 (E_RNA) where: Base-Base interactions energy: -15.789 where: short stacking energy: -15.789 Base-Backbone interact. energy: -0.000 local terms energy: -27.554049 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: 1.347 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -37.513221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.513221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.513221 (E_RNA) where: Base-Base interactions energy: -10.893 where: short stacking energy: -10.893 Base-Backbone interact. energy: -0.069 local terms energy: -26.550982 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.133 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: 7, replica: 3 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -34.589627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.589627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.589627 (E_RNA) where: Base-Base interactions energy: -7.929 where: short stacking energy: -6.517 Base-Backbone interact. energy: -0.000 local terms energy: -26.659843 where: bonds (distance) C4'-P energy: -6.335 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -3.839 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: 8, replica: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -33.528345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.528345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.528345 (E_RNA) where: Base-Base interactions energy: -6.779 where: short stacking energy: -6.779 Base-Backbone interact. energy: -0.010 local terms energy: -26.738796 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -33.789236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.789236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.789236 (E_RNA) where: Base-Base interactions energy: -8.786 where: short stacking energy: -8.786 Base-Backbone interact. energy: -0.007 local terms energy: -24.996396 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -2.273 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: 10, replica: 5 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -32.061400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.061400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.061400 (E_RNA) where: Base-Base interactions energy: -4.367 where: short stacking energy: -4.367 Base-Backbone interact. energy: -0.007 local terms energy: -27.687680 where: bonds (distance) C4'-P energy: -5.292 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -5.047 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: 1, replica: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -49.335236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.335236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.335236 (E_RNA) where: Base-Base interactions energy: -16.957 where: short stacking energy: -16.957 Base-Backbone interact. energy: -0.000 local terms energy: -32.377881 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -6.746 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -6.942 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: 157 Temperature: 0.950000 Total energy: -44.314916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.314916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.314916 (E_RNA) where: Base-Base interactions energy: -14.889 where: short stacking energy: -14.889 Base-Backbone interact. energy: -0.070 local terms energy: -29.356381 where: bonds (distance) C4'-P energy: -6.265 bonds (distance) P-C4' energy: -7.623 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -5.212 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: 3, replica: 10 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -41.311487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.311487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.311487 (E_RNA) where: Base-Base interactions energy: -12.621 where: short stacking energy: -12.621 Base-Backbone interact. energy: -0.000 local terms energy: -28.690704 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -3.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -34.174922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.174922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.174922 (E_RNA) where: Base-Base interactions energy: -6.881 where: short stacking energy: -6.881 Base-Backbone interact. energy: -0.175 local terms energy: -27.118958 where: bonds (distance) C4'-P energy: -5.516 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -6.153 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: 5, replica: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -40.774558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.774558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.774558 (E_RNA) where: Base-Base interactions energy: -14.680 where: short stacking energy: -14.680 Base-Backbone interact. energy: -0.001 local terms energy: -26.093868 where: bonds (distance) C4'-P energy: -5.623 bonds (distance) P-C4' energy: -5.224 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -39.318848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.318848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.318848 (E_RNA) where: Base-Base interactions energy: -11.489 where: short stacking energy: -11.489 Base-Backbone interact. energy: -0.130 local terms energy: -27.700615 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -6.255 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: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -33.679427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.679427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.679427 (E_RNA) where: Base-Base interactions energy: -6.666 where: short stacking energy: -6.666 Base-Backbone interact. energy: -1.149 local terms energy: -25.863890 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -5.613 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: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -30.116444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.116444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.116444 (E_RNA) where: Base-Base interactions energy: -7.598 where: short stacking energy: -7.598 Base-Backbone interact. energy: -0.246 local terms energy: -22.272719 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -4.327 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: 9, replica: 8 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -33.757804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.757804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.757804 (E_RNA) where: Base-Base interactions energy: -7.868 where: short stacking energy: -7.868 Base-Backbone interact. energy: -0.021 local terms energy: -25.868929 where: bonds (distance) C4'-P energy: -4.708 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -6.409 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -35.528423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.528423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.528423 (E_RNA) where: Base-Base interactions energy: -6.042 where: short stacking energy: -6.042 Base-Backbone interact. energy: -0.088 local terms energy: -29.398479 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -4.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -46.691076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.691076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.691076 (E_RNA) where: Base-Base interactions energy: -14.246 where: short stacking energy: -14.246 Base-Backbone interact. energy: -0.325 local terms energy: -32.119697 where: bonds (distance) C4'-P energy: -5.710 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -6.761 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: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -48.700558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.700558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.700558 (E_RNA) where: Base-Base interactions energy: -19.770 where: short stacking energy: -17.735 Base-Backbone interact. energy: 0.030 local terms energy: -28.960546 where: bonds (distance) C4'-P energy: -5.064 bonds (distance) P-C4' energy: -4.916 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -36.739892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.739892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.739892 (E_RNA) where: Base-Base interactions energy: -7.322 where: short stacking energy: -7.322 Base-Backbone interact. energy: -0.413 local terms energy: -29.004448 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -4.806 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: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -38.904047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.904047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.904047 (E_RNA) where: Base-Base interactions energy: -11.175 where: short stacking energy: -11.175 Base-Backbone interact. energy: -1.221 local terms energy: -26.507399 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -41.932945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.932945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.932945 (E_RNA) where: Base-Base interactions energy: -14.589 where: short stacking energy: -14.589 Base-Backbone interact. energy: -0.026 local terms energy: -27.318252 where: bonds (distance) C4'-P energy: -7.742 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -36.545820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.545820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.545820 (E_RNA) where: Base-Base interactions energy: -6.228 where: short stacking energy: -6.228 Base-Backbone interact. energy: -0.003 local terms energy: -30.315592 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -4.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -30.345428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.345428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.345428 (E_RNA) where: Base-Base interactions energy: -1.075 where: short stacking energy: -2.919 Base-Backbone interact. energy: -0.872 local terms energy: -28.398823 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -4.614 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: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -39.286663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.286663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.286663 (E_RNA) where: Base-Base interactions energy: -7.104 where: short stacking energy: -6.980 Base-Backbone interact. energy: -0.109 local terms energy: -32.074342 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -34.324566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.324566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.324566 (E_RNA) where: Base-Base interactions energy: -8.526 where: short stacking energy: -8.526 Base-Backbone interact. energy: -0.077 local terms energy: -25.721029 where: bonds (distance) C4'-P energy: -5.586 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -6.052 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: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -36.020862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.020862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.020862 (E_RNA) where: Base-Base interactions energy: -8.372 where: short stacking energy: -8.372 Base-Backbone interact. energy: -0.384 local terms energy: -27.263959 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -47.392786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.392786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.392786 (E_RNA) where: Base-Base interactions energy: -22.892 where: short stacking energy: -15.135 Base-Backbone interact. energy: -0.060 local terms energy: -24.440340 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -5.092 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -5.470 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: 2, replica: 2 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -40.734246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.734246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.734246 (E_RNA) where: Base-Base interactions energy: -13.137 where: short stacking energy: -13.137 Base-Backbone interact. energy: -0.003 local terms energy: -27.594139 where: bonds (distance) C4'-P energy: -5.660 bonds (distance) P-C4' energy: -5.678 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -41.605327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.605327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.605327 (E_RNA) where: Base-Base interactions energy: -13.323 where: short stacking energy: -13.323 Base-Backbone interact. energy: -0.794 local terms energy: -27.489101 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -5.649 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: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -36.468628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.468628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.468628 (E_RNA) where: Base-Base interactions energy: -9.922 where: short stacking energy: -9.922 Base-Backbone interact. energy: -0.149 local terms energy: -26.397984 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -6.245 tors. eta vs tors. theta energy: -0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -35.923791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.923791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.923791 (E_RNA) where: Base-Base interactions energy: -7.068 where: short stacking energy: -7.068 Base-Backbone interact. energy: -0.061 local terms energy: -28.794942 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -3.396 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: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -41.600484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.600484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.600484 (E_RNA) where: Base-Base interactions energy: -11.534 where: short stacking energy: -11.534 Base-Backbone interact. energy: -0.003 local terms energy: -30.064106 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -6.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -33.266478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.266478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.266478 (E_RNA) where: Base-Base interactions energy: -6.384 where: short stacking energy: -6.384 Base-Backbone interact. energy: -0.084 local terms energy: -26.798522 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -1.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -42.167552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.167552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.167552 (E_RNA) where: Base-Base interactions energy: -12.265 where: short stacking energy: -10.982 Base-Backbone interact. energy: -0.212 local terms energy: -29.689939 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -4.148 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: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -31.833795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.833795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.833795 (E_RNA) where: Base-Base interactions energy: -9.034 where: short stacking energy: -9.034 Base-Backbone interact. energy: -0.097 local terms energy: -22.702805 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -2.941 flat angles P-C4'-P energy: -3.327 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: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -30.860755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.860755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.860755 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.051 local terms energy: -23.606257 where: bonds (distance) C4'-P energy: -4.210 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 0.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -48.850364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.850364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.850364 (E_RNA) where: Base-Base interactions energy: -17.112 where: short stacking energy: -16.810 Base-Backbone interact. energy: -0.908 local terms energy: -30.830761 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -41.451477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.451477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.451477 (E_RNA) where: Base-Base interactions energy: -12.829 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.066 local terms energy: -28.556594 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -7.230 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -5.806 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: 3, replica: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -36.410522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.410522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.410522 (E_RNA) where: Base-Base interactions energy: -10.228 where: short stacking energy: -9.664 Base-Backbone interact. energy: -0.005 local terms energy: -26.177692 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -3.727 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: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -39.367634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.367634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.367634 (E_RNA) where: Base-Base interactions energy: -13.678 where: short stacking energy: -12.401 Base-Backbone interact. energy: -0.022 local terms energy: -25.667479 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -4.913 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: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -42.606312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.606312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.606312 (E_RNA) where: Base-Base interactions energy: -12.212 where: short stacking energy: -12.212 Base-Backbone interact. energy: -0.011 local terms energy: -30.383984 where: bonds (distance) C4'-P energy: -8.111 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -32.730115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.730115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.730115 (E_RNA) where: Base-Base interactions energy: -10.643 where: short stacking energy: -5.018 Base-Backbone interact. energy: -0.885 local terms energy: -21.202247 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: 1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -32.991430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.991430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.991430 (E_RNA) where: Base-Base interactions energy: -6.342 where: short stacking energy: -6.342 Base-Backbone interact. energy: -0.079 local terms energy: -26.570210 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -3.452 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: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -32.021262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.021262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.021262 (E_RNA) where: Base-Base interactions energy: -9.970 where: short stacking energy: -9.970 Base-Backbone interact. energy: -0.066 local terms energy: -21.985092 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: 0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -30.930423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.930423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.930423 (E_RNA) where: Base-Base interactions energy: -7.037 where: short stacking energy: -7.037 Base-Backbone interact. energy: -0.020 local terms energy: -23.873380 where: bonds (distance) C4'-P energy: -5.864 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -33.047678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.047678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.047678 (E_RNA) where: Base-Base interactions energy: -9.384 where: short stacking energy: -5.274 Base-Backbone interact. energy: -0.070 local terms energy: -23.594353 where: bonds (distance) C4'-P energy: -6.029 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -4.365 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: 1, replica: 4 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -48.819631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.819631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.819631 (E_RNA) where: Base-Base interactions energy: -16.705 where: short stacking energy: -16.705 Base-Backbone interact. energy: -0.046 local terms energy: -32.069237 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -4.724 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: 2, replica: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -36.154751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.154751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.154751 (E_RNA) where: Base-Base interactions energy: -7.997 where: short stacking energy: -7.997 Base-Backbone interact. energy: -0.101 local terms energy: -28.056470 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -41.086923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.086923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.086923 (E_RNA) where: Base-Base interactions energy: -13.139 where: short stacking energy: -13.139 Base-Backbone interact. energy: -0.050 local terms energy: -27.897102 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -7.098 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -41.975558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.975558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.975558 (E_RNA) where: Base-Base interactions energy: -12.682 where: short stacking energy: -12.682 Base-Backbone interact. energy: -0.215 local terms energy: -29.078194 where: bonds (distance) C4'-P energy: -5.711 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -38.704646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.704646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.704646 (E_RNA) where: Base-Base interactions energy: -9.670 where: short stacking energy: -9.251 Base-Backbone interact. energy: -1.954 local terms energy: -27.081136 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -5.776 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: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -42.127715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.127715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.127715 (E_RNA) where: Base-Base interactions energy: -13.351 where: short stacking energy: -13.351 Base-Backbone interact. energy: -0.000 local terms energy: -28.777183 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -33.849939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.849939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.849939 (E_RNA) where: Base-Base interactions energy: -6.492 where: short stacking energy: -6.492 Base-Backbone interact. energy: -0.164 local terms energy: -27.193471 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.656 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -34.140200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.140200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.140200 (E_RNA) where: Base-Base interactions energy: -9.381 where: short stacking energy: -9.381 Base-Backbone interact. energy: 0.036 local terms energy: -24.794854 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -35.828116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.828116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.828116 (E_RNA) where: Base-Base interactions energy: -12.144 where: short stacking energy: -11.334 Base-Backbone interact. energy: -0.194 local terms energy: -23.490815 where: bonds (distance) C4'-P energy: -5.428 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: 1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -29.966081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.966081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.966081 (E_RNA) where: Base-Base interactions energy: -6.708 where: short stacking energy: -6.708 Base-Backbone interact. energy: -0.002 local terms energy: -23.255945 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -5.550 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: 1, replica: 4 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -46.631242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.631242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.631242 (E_RNA) where: Base-Base interactions energy: -16.364 where: short stacking energy: -10.946 Base-Backbone interact. energy: -0.135 local terms energy: -30.132706 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.396 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -2.146 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -48.842710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.842710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.842710 (E_RNA) where: Base-Base interactions energy: -14.471 where: short stacking energy: -14.471 Base-Backbone interact. energy: -0.000 local terms energy: -34.372121 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -7.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -36.180549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.180549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.180549 (E_RNA) where: Base-Base interactions energy: -6.892 where: short stacking energy: -6.892 Base-Backbone interact. energy: -0.000 local terms energy: -29.287957 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -3.196 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: 4, replica: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -39.544604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.544604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.544604 (E_RNA) where: Base-Base interactions energy: -8.562 where: short stacking energy: -8.562 Base-Backbone interact. energy: -0.121 local terms energy: -30.862313 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -5.873 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: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -37.518106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.518106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.518106 (E_RNA) where: Base-Base interactions energy: -10.180 where: short stacking energy: -10.111 Base-Backbone interact. energy: -0.097 local terms energy: -27.241190 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -38.336698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.336698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.336698 (E_RNA) where: Base-Base interactions energy: -6.066 where: short stacking energy: -6.066 Base-Backbone interact. energy: -0.069 local terms energy: -32.201146 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -40.001998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.001998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.001998 (E_RNA) where: Base-Base interactions energy: -10.063 where: short stacking energy: -10.063 Base-Backbone interact. energy: -0.002 local terms energy: -29.937057 where: bonds (distance) C4'-P energy: -6.166 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -32.623186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.623186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.623186 (E_RNA) where: Base-Base interactions energy: -5.299 where: short stacking energy: -5.299 Base-Backbone interact. energy: 0.355 local terms energy: -27.679947 where: bonds (distance) C4'-P energy: -6.233 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -5.842 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: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -31.238911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.238911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.238911 (E_RNA) where: Base-Base interactions energy: -10.224 where: short stacking energy: -10.224 Base-Backbone interact. energy: -0.278 local terms energy: -20.736678 where: bonds (distance) C4'-P energy: -5.552 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -31.341587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.341587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.341587 (E_RNA) where: Base-Base interactions energy: -9.970 where: short stacking energy: -9.970 Base-Backbone interact. energy: -0.026 local terms energy: -21.345576 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: 0.674 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: 1, replica: 4 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -46.691377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.691377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.691377 (E_RNA) where: Base-Base interactions energy: -13.924 where: short stacking energy: -13.924 Base-Backbone interact. energy: -0.023 local terms energy: -32.744079 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -6.177 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: 2, replica: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -42.751704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.751704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.751704 (E_RNA) where: Base-Base interactions energy: -11.614 where: short stacking energy: -11.614 Base-Backbone interact. energy: -0.004 local terms energy: -31.133149 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -44.235790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.235790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.235790 (E_RNA) where: Base-Base interactions energy: -13.589 where: short stacking energy: -13.589 Base-Backbone interact. energy: -0.000 local terms energy: -30.646955 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.706 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -4.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -46.303504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.303504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.303504 (E_RNA) where: Base-Base interactions energy: -13.335 where: short stacking energy: -13.335 Base-Backbone interact. energy: 0.005 local terms energy: -32.973745 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -4.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -38.949376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.949376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.949376 (E_RNA) where: Base-Base interactions energy: -10.026 where: short stacking energy: -10.026 Base-Backbone interact. energy: -0.000 local terms energy: -28.923754 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -3.641 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: 6, replica: 8 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -34.496756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.496756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.496756 (E_RNA) where: Base-Base interactions energy: -9.596 where: short stacking energy: -8.163 Base-Backbone interact. energy: -0.014 local terms energy: -24.886086 where: bonds (distance) C4'-P energy: -5.056 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -5.046 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: 7, replica: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -31.659298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.659298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.659298 (E_RNA) where: Base-Base interactions energy: -7.938 where: short stacking energy: -7.938 Base-Backbone interact. energy: -0.025 local terms energy: -23.696767 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -6.970 flat angles C4'-P-C4' energy: -3.905 flat angles P-C4'-P energy: -4.776 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: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -32.110250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.110250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.110250 (E_RNA) where: Base-Base interactions energy: -6.885 where: short stacking energy: -6.885 Base-Backbone interact. energy: -0.019 local terms energy: -25.205933 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -33.243044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.243044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.243044 (E_RNA) where: Base-Base interactions energy: -7.270 where: short stacking energy: -7.270 Base-Backbone interact. energy: -0.098 local terms energy: -25.875000 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.668 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -29.496033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.496033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.496033 (E_RNA) where: Base-Base interactions energy: -3.225 where: short stacking energy: -3.225 Base-Backbone interact. energy: -0.053 local terms energy: -26.218039 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -4.557 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: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -48.382448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.382448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.382448 (E_RNA) where: Base-Base interactions energy: -17.583 where: short stacking energy: -17.583 Base-Backbone interact. energy: -0.041 local terms energy: -30.758055 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -43.570632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.570632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.570632 (E_RNA) where: Base-Base interactions energy: -14.998 where: short stacking energy: -14.998 Base-Backbone interact. energy: -0.002 local terms energy: -28.570805 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -5.789 tors. eta vs tors. theta energy: -4.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -40.117707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.117707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.117707 (E_RNA) where: Base-Base interactions energy: -8.366 where: short stacking energy: -8.366 Base-Backbone interact. energy: -0.009 local terms energy: -31.742660 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -5.762 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: 4, replica: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -40.182985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.182985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.182985 (E_RNA) where: Base-Base interactions energy: -9.075 where: short stacking energy: -7.310 Base-Backbone interact. energy: -0.014 local terms energy: -31.093537 where: bonds (distance) C4'-P energy: -6.252 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -6.644 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: 5, replica: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -39.152371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.152371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.152371 (E_RNA) where: Base-Base interactions energy: -12.287 where: short stacking energy: -12.287 Base-Backbone interact. energy: -0.003 local terms energy: -26.861731 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -1.967 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -38.461745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.461745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.461745 (E_RNA) where: Base-Base interactions energy: -12.318 where: short stacking energy: -12.001 Base-Backbone interact. energy: -0.088 local terms energy: -26.055475 where: bonds (distance) C4'-P energy: -7.134 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -34.713079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.713079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.713079 (E_RNA) where: Base-Base interactions energy: -5.851 where: short stacking energy: -5.851 Base-Backbone interact. energy: -0.057 local terms energy: -28.804632 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -33.544783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.544783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.544783 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -9.523 Base-Backbone interact. energy: -0.072 local terms energy: -23.415377 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -3.428 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -28.691925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.691925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.691925 (E_RNA) where: Base-Base interactions energy: -5.233 where: short stacking energy: -5.233 Base-Backbone interact. energy: -0.006 local terms energy: -23.452871 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -3.878 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: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -31.337619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.337619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.337619 (E_RNA) where: Base-Base interactions energy: -5.537 where: short stacking energy: -5.537 Base-Backbone interact. energy: 0.133 local terms energy: -25.933446 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -48.999065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.999065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.999065 (E_RNA) where: Base-Base interactions energy: -15.731 where: short stacking energy: -15.731 Base-Backbone interact. energy: -0.010 local terms energy: -33.257265 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -7.382 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: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -44.303006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.303006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.303006 (E_RNA) where: Base-Base interactions energy: -13.659 where: short stacking energy: -13.659 Base-Backbone interact. energy: -0.059 local terms energy: -30.585350 where: bonds (distance) C4'-P energy: -5.461 bonds (distance) P-C4' energy: -7.129 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -39.842277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.842277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.842277 (E_RNA) where: Base-Base interactions energy: -11.144 where: short stacking energy: -10.592 Base-Backbone interact. energy: -0.004 local terms energy: -28.694215 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -43.367315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.367315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.367315 (E_RNA) where: Base-Base interactions energy: -14.160 where: short stacking energy: -14.308 Base-Backbone interact. energy: -0.064 local terms energy: -29.143118 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -4.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -36.730802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.730802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.730802 (E_RNA) where: Base-Base interactions energy: -9.748 where: short stacking energy: -9.748 Base-Backbone interact. energy: -0.013 local terms energy: -26.969975 where: bonds (distance) C4'-P energy: -6.562 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -4.473 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: 8 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -38.174151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.174151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.174151 (E_RNA) where: Base-Base interactions energy: -11.401 where: short stacking energy: -11.401 Base-Backbone interact. energy: -0.089 local terms energy: -26.684643 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -6.049 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -32.583481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.583481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.583481 (E_RNA) where: Base-Base interactions energy: -6.420 where: short stacking energy: -6.420 Base-Backbone interact. energy: -0.065 local terms energy: -26.098332 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -3.083 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: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -35.596256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.596256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.596256 (E_RNA) where: Base-Base interactions energy: -7.571 where: short stacking energy: -7.571 Base-Backbone interact. energy: -0.028 local terms energy: -27.997903 where: bonds (distance) C4'-P energy: -8.305 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -4.594 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: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -33.013045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.013045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.013045 (E_RNA) where: Base-Base interactions energy: -6.190 where: short stacking energy: -6.190 Base-Backbone interact. energy: -0.097 local terms energy: -26.726547 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -4.836 tors. eta vs tors. theta energy: 0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -29.632535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.632535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.632535 (E_RNA) where: Base-Base interactions energy: -8.765 where: short stacking energy: -8.765 Base-Backbone interact. energy: -0.063 local terms energy: -20.804654 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -6.666 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: 1.621 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: 1, replica: 4 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -44.751518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.751518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.751518 (E_RNA) where: Base-Base interactions energy: -14.327 where: short stacking energy: -14.327 Base-Backbone interact. energy: -0.008 local terms energy: -30.416635 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: -5.779 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: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -40.675313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.675313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.675313 (E_RNA) where: Base-Base interactions energy: -12.363 where: short stacking energy: -12.363 Base-Backbone interact. energy: -0.001 local terms energy: -28.311830 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -3.765 flat angles P-C4'-P energy: -6.553 tors. eta vs tors. theta energy: -4.239 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: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -39.532176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.532176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.532176 (E_RNA) where: Base-Base interactions energy: -10.780 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.623 local terms energy: -28.129023 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -4.527 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: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -36.076733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.076733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.076733 (E_RNA) where: Base-Base interactions energy: -10.048 where: short stacking energy: -10.029 Base-Backbone interact. energy: -0.032 local terms energy: -25.996589 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -4.903 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: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -36.089269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.089269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.089269 (E_RNA) where: Base-Base interactions energy: -7.806 where: short stacking energy: -7.806 Base-Backbone interact. energy: -0.018 local terms energy: -28.264518 where: bonds (distance) C4'-P energy: -5.486 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -35.498292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.498292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.498292 (E_RNA) where: Base-Base interactions energy: -6.722 where: short stacking energy: -6.722 Base-Backbone interact. energy: -0.115 local terms energy: -28.660775 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: 0.414 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: 7, replica: 1 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -35.180491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.180491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.180491 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.000 local terms energy: -27.080941 where: bonds (distance) C4'-P energy: -5.172 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -30.440601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.440601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.440601 (E_RNA) where: Base-Base interactions energy: -5.755 where: short stacking energy: -5.755 Base-Backbone interact. energy: -0.007 local terms energy: -24.678368 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -4.178 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -34.179616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.179616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.179616 (E_RNA) where: Base-Base interactions energy: -7.973 where: short stacking energy: -7.973 Base-Backbone interact. energy: -0.001 local terms energy: -26.205081 where: bonds (distance) C4'-P energy: -5.358 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -32.465552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.465552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.465552 (E_RNA) where: Base-Base interactions energy: -5.928 where: short stacking energy: -5.928 Base-Backbone interact. energy: -0.099 local terms energy: -26.438759 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -42.222240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.222240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.222240 (E_RNA) where: Base-Base interactions energy: -13.339 where: short stacking energy: -13.339 Base-Backbone interact. energy: -0.006 local terms energy: -28.877129 where: bonds (distance) C4'-P energy: -5.101 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -8.638 flat angles P-C4'-P energy: -2.467 tors. eta vs tors. theta energy: -5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -43.034249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.034249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.034249 (E_RNA) where: Base-Base interactions energy: -12.656 where: short stacking energy: -12.656 Base-Backbone interact. energy: 0.033 local terms energy: -30.410966 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -33.685930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.685930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.685930 (E_RNA) where: Base-Base interactions energy: -3.781 where: short stacking energy: -3.781 Base-Backbone interact. energy: -0.104 local terms energy: -29.800871 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -6.097 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: 4, replica: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -39.564350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.564350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.564350 (E_RNA) where: Base-Base interactions energy: -10.276 where: short stacking energy: -10.276 Base-Backbone interact. energy: -0.027 local terms energy: -29.261374 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -41.291768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.291768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.291768 (E_RNA) where: Base-Base interactions energy: -13.842 where: short stacking energy: -13.842 Base-Backbone interact. energy: -0.006 local terms energy: -27.444044 where: bonds (distance) C4'-P energy: -3.908 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -39.611210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.611210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.611210 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.098 local terms energy: -28.438154 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -0.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -33.209001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.209001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.209001 (E_RNA) where: Base-Base interactions energy: -7.162 where: short stacking energy: -7.162 Base-Backbone interact. energy: -0.047 local terms energy: -25.999202 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -3.734 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: 8, replica: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -35.336147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.336147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.336147 (E_RNA) where: Base-Base interactions energy: -9.476 where: short stacking energy: -9.476 Base-Backbone interact. energy: -0.037 local terms energy: -25.822973 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -3.858 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: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -32.978705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.978705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.978705 (E_RNA) where: Base-Base interactions energy: -6.606 where: short stacking energy: -6.606 Base-Backbone interact. energy: -0.029 local terms energy: -26.343639 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -4.802 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: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -30.942473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.942473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.942473 (E_RNA) where: Base-Base interactions energy: -9.468 where: short stacking energy: -9.468 Base-Backbone interact. energy: -0.037 local terms energy: -21.437711 where: bonds (distance) C4'-P energy: -2.731 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -43.136949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.136949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.136949 (E_RNA) where: Base-Base interactions energy: -14.193 where: short stacking energy: -10.351 Base-Backbone interact. energy: -0.098 local terms energy: -28.845444 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -6.608 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -6.225 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: 2, replica: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -41.024996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.024996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.024996 (E_RNA) where: Base-Base interactions energy: -14.026 where: short stacking energy: -14.026 Base-Backbone interact. energy: -0.059 local terms energy: -26.939268 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.675 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: 3, replica: 8 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -39.297190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.297190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.297190 (E_RNA) where: Base-Base interactions energy: -10.602 where: short stacking energy: -10.602 Base-Backbone interact. energy: -0.063 local terms energy: -28.631445 where: bonds (distance) C4'-P energy: -4.576 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -6.385 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: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -37.302912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.302912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.302912 (E_RNA) where: Base-Base interactions energy: -10.609 where: short stacking energy: -10.609 Base-Backbone interact. energy: 0.015 local terms energy: -26.708412 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -2.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -33.758149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.758149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.758149 (E_RNA) where: Base-Base interactions energy: -7.725 where: short stacking energy: -7.725 Base-Backbone interact. energy: -0.015 local terms energy: -26.018163 where: bonds (distance) C4'-P energy: -6.439 bonds (distance) P-C4' energy: -4.561 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -4.532 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: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -37.129359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.129359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.129359 (E_RNA) where: Base-Base interactions energy: -10.373 where: short stacking energy: -10.373 Base-Backbone interact. energy: -0.053 local terms energy: -26.703383 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -5.103 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: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -35.291436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.291436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.291436 (E_RNA) where: Base-Base interactions energy: -8.269 where: short stacking energy: -8.269 Base-Backbone interact. energy: -0.064 local terms energy: -26.958447 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -33.411798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.411798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.411798 (E_RNA) where: Base-Base interactions energy: -5.168 where: short stacking energy: -5.168 Base-Backbone interact. energy: -0.001 local terms energy: -28.242580 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -34.168589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.168589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.168589 (E_RNA) where: Base-Base interactions energy: -5.775 where: short stacking energy: -5.775 Base-Backbone interact. energy: -0.174 local terms energy: -28.219815 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -7.583 flat angles P-C4'-P energy: -5.746 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: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -31.486330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.486330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.486330 (E_RNA) where: Base-Base interactions energy: -7.063 where: short stacking energy: -7.063 Base-Backbone interact. energy: -0.012 local terms energy: -24.410770 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -6.687 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -4.043 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: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -47.811053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.811053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.811053 (E_RNA) where: Base-Base interactions energy: -14.413 where: short stacking energy: -14.413 Base-Backbone interact. energy: -0.000 local terms energy: -33.397771 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -58.978089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.978089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.978089 (E_RNA) where: Base-Base interactions energy: -21.857 where: short stacking energy: -21.857 Base-Backbone interact. energy: -0.038 local terms energy: -37.083684 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -8.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -42.214433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.214433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.214433 (E_RNA) where: Base-Base interactions energy: -15.247 where: short stacking energy: -15.247 Base-Backbone interact. energy: -0.012 local terms energy: -26.955620 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -2.999 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -38.238848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.238848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.238848 (E_RNA) where: Base-Base interactions energy: -14.629 where: short stacking energy: -14.629 Base-Backbone interact. energy: -0.053 local terms energy: -23.556864 where: bonds (distance) C4'-P energy: -4.095 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -1.844 tors. eta vs tors. theta energy: -5.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -38.935459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.935459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.935459 (E_RNA) where: Base-Base interactions energy: -10.687 where: short stacking energy: -10.687 Base-Backbone interact. energy: -0.011 local terms energy: -28.237517 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -36.694174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.694174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.694174 (E_RNA) where: Base-Base interactions energy: -10.922 where: short stacking energy: -10.922 Base-Backbone interact. energy: -0.000 local terms energy: -25.772310 where: bonds (distance) C4'-P energy: -3.888 bonds (distance) P-C4' energy: -4.871 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -4.505 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: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -39.042122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.042122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.042122 (E_RNA) where: Base-Base interactions energy: -11.514 where: short stacking energy: -11.514 Base-Backbone interact. energy: -0.065 local terms energy: -27.462896 where: bonds (distance) C4'-P energy: -6.037 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -31.915677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.915677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.915677 (E_RNA) where: Base-Base interactions energy: -6.321 where: short stacking energy: -6.321 Base-Backbone interact. energy: -0.006 local terms energy: -25.588903 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -37.027559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.027559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.027559 (E_RNA) where: Base-Base interactions energy: -10.044 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.100 local terms energy: -26.883228 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -4.822 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -31.668611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.668611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.668611 (E_RNA) where: Base-Base interactions energy: -4.623 where: short stacking energy: -4.623 Base-Backbone interact. energy: -0.057 local terms energy: -26.988994 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -6.274 tors. eta vs tors. theta energy: -1.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -48.433489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.433489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.433489 (E_RNA) where: Base-Base interactions energy: -16.070 where: short stacking energy: -16.070 Base-Backbone interact. energy: -0.000 local terms energy: -32.363294 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -38.988260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.988260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.988260 (E_RNA) where: Base-Base interactions energy: -9.772 where: short stacking energy: -9.738 Base-Backbone interact. energy: -0.021 local terms energy: -29.194956 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -4.859 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: 3, replica: 1 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -42.000482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.000482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.000482 (E_RNA) where: Base-Base interactions energy: -11.677 where: short stacking energy: -9.743 Base-Backbone interact. energy: -0.013 local terms energy: -30.310348 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -4.692 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: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -34.027740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.027740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.027740 (E_RNA) where: Base-Base interactions energy: -7.015 where: short stacking energy: -6.123 Base-Backbone interact. energy: -0.166 local terms energy: -26.847089 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -5.181 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: 5, replica: 10 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -33.719384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.719384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.719384 (E_RNA) where: Base-Base interactions energy: -8.192 where: short stacking energy: -8.192 Base-Backbone interact. energy: -0.001 local terms energy: -25.526401 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -5.659 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: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -36.382428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.382428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.382428 (E_RNA) where: Base-Base interactions energy: -10.423 where: short stacking energy: -10.423 Base-Backbone interact. energy: -0.032 local terms energy: -25.927676 where: bonds (distance) C4'-P energy: -6.012 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -1.678 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: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -38.102345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.102345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.102345 (E_RNA) where: Base-Base interactions energy: -10.332 where: short stacking energy: -10.332 Base-Backbone interact. energy: -0.006 local terms energy: -27.763654 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -36.346827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.346827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.346827 (E_RNA) where: Base-Base interactions energy: -8.446 where: short stacking energy: -8.446 Base-Backbone interact. energy: -0.028 local terms energy: -27.872970 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -4.639 flat angles P-C4'-P energy: -4.376 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: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -38.107481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.107481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.107481 (E_RNA) where: Base-Base interactions energy: -14.891 where: short stacking energy: -10.297 Base-Backbone interact. energy: -0.000 local terms energy: -23.216471 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -1.515 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: 10, replica: 3 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -34.039656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.039656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.039656 (E_RNA) where: Base-Base interactions energy: -8.475 where: short stacking energy: -8.475 Base-Backbone interact. energy: -0.064 local terms energy: -25.500598 where: bonds (distance) C4'-P energy: -5.383 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.025 flat angles P-C4'-P energy: -4.111 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: 1, replica: 4 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -50.465871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.465871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.465871 (E_RNA) where: Base-Base interactions energy: -16.936 where: short stacking energy: -16.936 Base-Backbone interact. energy: -0.043 local terms energy: -33.486552 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -47.819628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.819628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.819628 (E_RNA) where: Base-Base interactions energy: -14.165 where: short stacking energy: -14.165 Base-Backbone interact. energy: -0.015 local terms energy: -33.640084 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -6.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -41.828914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.828914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.828914 (E_RNA) where: Base-Base interactions energy: -12.422 where: short stacking energy: -12.422 Base-Backbone interact. energy: -0.134 local terms energy: -29.273416 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -5.344 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: 4, replica: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -36.386060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.386060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.386060 (E_RNA) where: Base-Base interactions energy: -5.668 where: short stacking energy: -5.668 Base-Backbone interact. energy: -0.916 local terms energy: -29.802556 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -5.812 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: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -35.407214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.407214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.407214 (E_RNA) where: Base-Base interactions energy: -5.943 where: short stacking energy: -4.394 Base-Backbone interact. energy: -0.011 local terms energy: -29.453060 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -4.391 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: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -35.609244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.609244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.609244 (E_RNA) where: Base-Base interactions energy: -6.782 where: short stacking energy: -6.782 Base-Backbone interact. energy: -0.085 local terms energy: -28.742450 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -30.329819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.329819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.329819 (E_RNA) where: Base-Base interactions energy: -5.343 where: short stacking energy: -5.343 Base-Backbone interact. energy: -0.098 local terms energy: -24.888757 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -39.005618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.005618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.005618 (E_RNA) where: Base-Base interactions energy: -15.117 where: short stacking energy: -15.117 Base-Backbone interact. energy: -0.100 local terms energy: -23.788212 where: bonds (distance) C4'-P energy: -5.569 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -2.849 flat angles P-C4'-P energy: -4.056 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: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -28.219270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.219270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.219270 (E_RNA) where: Base-Base interactions energy: -2.919 where: short stacking energy: -2.919 Base-Backbone interact. energy: -0.025 local terms energy: -25.275662 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -2.629 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: 3 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -33.745038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.745038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.745038 (E_RNA) where: Base-Base interactions energy: -10.096 where: short stacking energy: -10.096 Base-Backbone interact. energy: 0.011 local terms energy: -23.660373 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -0.151 flat angles P-C4'-P energy: -4.603 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: 1, replica: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -51.442832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.442832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.442832 (E_RNA) where: Base-Base interactions energy: -17.805 where: short stacking energy: -17.805 Base-Backbone interact. energy: -0.006 local terms energy: -33.631591 where: bonds (distance) C4'-P energy: -7.631 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -8.153 flat angles P-C4'-P energy: -6.040 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: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -44.053801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.053801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.053801 (E_RNA) where: Base-Base interactions energy: -12.840 where: short stacking energy: -12.840 Base-Backbone interact. energy: -0.074 local terms energy: -31.139969 where: bonds (distance) C4'-P energy: -6.290 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -46.147893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.147893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.147893 (E_RNA) where: Base-Base interactions energy: -13.529 where: short stacking energy: -13.529 Base-Backbone interact. energy: -0.000 local terms energy: -32.618995 where: bonds (distance) C4'-P energy: -5.466 bonds (distance) P-C4' energy: -6.921 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -36.133979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.133979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.133979 (E_RNA) where: Base-Base interactions energy: -13.231 where: short stacking energy: -13.231 Base-Backbone interact. energy: -0.027 local terms energy: -22.876058 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -1.962 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -4.919 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: 5, replica: 9 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -40.746191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.746191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.746191 (E_RNA) where: Base-Base interactions energy: -11.019 where: short stacking energy: -11.019 Base-Backbone interact. energy: -0.210 local terms energy: -29.517382 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -2.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -38.840877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.840877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.840877 (E_RNA) where: Base-Base interactions energy: -10.141 where: short stacking energy: -10.141 Base-Backbone interact. energy: -0.000 local terms energy: -28.699332 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -3.446 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: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -31.671034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.671034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.671034 (E_RNA) where: Base-Base interactions energy: -4.517 where: short stacking energy: -4.517 Base-Backbone interact. energy: -0.080 local terms energy: -27.074429 where: bonds (distance) C4'-P energy: -4.381 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -5.730 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: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -39.633608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.633608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.633608 (E_RNA) where: Base-Base interactions energy: -14.252 where: short stacking energy: -14.252 Base-Backbone interact. energy: -0.094 local terms energy: -25.287139 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -3.598 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -1.763 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -30.043846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.043846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.043846 (E_RNA) where: Base-Base interactions energy: -3.978 where: short stacking energy: -3.331 Base-Backbone interact. energy: -0.012 local terms energy: -26.054550 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -5.312 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: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -29.644408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.644408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.644408 (E_RNA) where: Base-Base interactions energy: -6.095 where: short stacking energy: -4.742 Base-Backbone interact. energy: -0.001 local terms energy: -23.548295 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -1.079 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -45.411916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.411916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.411916 (E_RNA) where: Base-Base interactions energy: -12.489 where: short stacking energy: -12.489 Base-Backbone interact. energy: -0.001 local terms energy: -32.922217 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -44.401954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.401954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.401954 (E_RNA) where: Base-Base interactions energy: -15.007 where: short stacking energy: -12.456 Base-Backbone interact. energy: -0.096 local terms energy: -29.298397 where: bonds (distance) C4'-P energy: -6.074 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -38.181802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.181802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.181802 (E_RNA) where: Base-Base interactions energy: -10.898 where: short stacking energy: -10.898 Base-Backbone interact. energy: -0.050 local terms energy: -27.233533 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -5.530 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: 4, replica: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -43.391637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.391637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.391637 (E_RNA) where: Base-Base interactions energy: -12.949 where: short stacking energy: -12.949 Base-Backbone interact. energy: -0.006 local terms energy: -30.435889 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -6.501 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: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -38.333585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.333585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.333585 (E_RNA) where: Base-Base interactions energy: -10.448 where: short stacking energy: -10.448 Base-Backbone interact. energy: -0.001 local terms energy: -27.884728 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -2.542 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -35.181811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.181811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.181811 (E_RNA) where: Base-Base interactions energy: -6.964 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.010 local terms energy: -28.207483 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -5.954 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -4.712 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: 7, replica: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -31.748932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.748932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.748932 (E_RNA) where: Base-Base interactions energy: -3.232 where: short stacking energy: -3.232 Base-Backbone interact. energy: -0.094 local terms energy: -28.422431 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -34.546491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.546491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.546491 (E_RNA) where: Base-Base interactions energy: -10.808 where: short stacking energy: -10.808 Base-Backbone interact. energy: -0.072 local terms energy: -23.666916 where: bonds (distance) C4'-P energy: -6.530 bonds (distance) P-C4' energy: -7.904 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -0.034 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -30.140556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.140556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.140556 (E_RNA) where: Base-Base interactions energy: -8.256 where: short stacking energy: -8.256 Base-Backbone interact. energy: -0.143 local terms energy: -21.742167 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -6.375 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -1.918 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: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -33.373265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.373265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.373265 (E_RNA) where: Base-Base interactions energy: -3.661 where: short stacking energy: -2.799 Base-Backbone interact. energy: -0.032 local terms energy: -29.681038 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -42.522073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.522073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.522073 (E_RNA) where: Base-Base interactions energy: -13.473 where: short stacking energy: -12.660 Base-Backbone interact. energy: -0.192 local terms energy: -28.857211 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -7.709 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -4.913 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: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -41.461577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.461577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.461577 (E_RNA) where: Base-Base interactions energy: -14.598 where: short stacking energy: -14.598 Base-Backbone interact. energy: -1.064 local terms energy: -25.799584 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -5.261 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: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -42.520908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.520908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.520908 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.129 local terms energy: -29.342398 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -37.891048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.891048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.891048 (E_RNA) where: Base-Base interactions energy: -9.599 where: short stacking energy: -9.599 Base-Backbone interact. energy: -0.035 local terms energy: -28.256938 where: bonds (distance) C4'-P energy: -6.443 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -5.707 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: 5, replica: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -38.236162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.236162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.236162 (E_RNA) where: Base-Base interactions energy: -9.373 where: short stacking energy: -9.373 Base-Backbone interact. energy: -0.000 local terms energy: -28.862987 where: bonds (distance) C4'-P energy: -6.741 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -30.520116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.520116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.520116 (E_RNA) where: Base-Base interactions energy: -2.486 where: short stacking energy: -2.486 Base-Backbone interact. energy: -0.018 local terms energy: -28.015994 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -4.583 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: 7, replica: 3 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -34.678142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.678142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.678142 (E_RNA) where: Base-Base interactions energy: -14.242 where: short stacking energy: -14.242 Base-Backbone interact. energy: -0.055 local terms energy: -20.381450 where: bonds (distance) C4'-P energy: -4.166 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -31.972146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.972146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.972146 (E_RNA) where: Base-Base interactions energy: -3.924 where: short stacking energy: -3.924 Base-Backbone interact. energy: -0.098 local terms energy: -27.949587 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -4.722 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: 9, replica: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -36.129417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.129417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.129417 (E_RNA) where: Base-Base interactions energy: -8.549 where: short stacking energy: -8.549 Base-Backbone interact. energy: 0.015 local terms energy: -27.594815 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -7.911 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -4.072 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: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -33.053636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.053636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.053636 (E_RNA) where: Base-Base interactions energy: -10.850 where: short stacking energy: -10.850 Base-Backbone interact. energy: -0.006 local terms energy: -22.198035 where: bonds (distance) C4'-P energy: -2.600 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -6.208 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: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -40.892544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.892544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.892544 (E_RNA) where: Base-Base interactions energy: -9.778 where: short stacking energy: -9.778 Base-Backbone interact. energy: -0.039 local terms energy: -31.074917 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -41.044208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.044208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.044208 (E_RNA) where: Base-Base interactions energy: -11.541 where: short stacking energy: -11.541 Base-Backbone interact. energy: -0.068 local terms energy: -29.435225 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -45.104098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.104098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.104098 (E_RNA) where: Base-Base interactions energy: -12.700 where: short stacking energy: -12.700 Base-Backbone interact. energy: -0.001 local terms energy: -32.403046 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -5.250 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: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -38.450276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.450276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.450276 (E_RNA) where: Base-Base interactions energy: -9.728 where: short stacking energy: -9.728 Base-Backbone interact. energy: -0.027 local terms energy: -28.695419 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -37.074038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.074038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.074038 (E_RNA) where: Base-Base interactions energy: -8.669 where: short stacking energy: -8.669 Base-Backbone interact. energy: -0.002 local terms energy: -28.403247 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -5.056 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: 6, replica: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -34.864475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.864475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.864475 (E_RNA) where: Base-Base interactions energy: -9.326 where: short stacking energy: -9.326 Base-Backbone interact. energy: -0.043 local terms energy: -25.494818 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -2.927 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: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -38.199964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.199964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.199964 (E_RNA) where: Base-Base interactions energy: -10.398 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.709 local terms energy: -27.092850 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -4.880 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: 8, replica: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -31.588006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.588006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.588006 (E_RNA) where: Base-Base interactions energy: -6.799 where: short stacking energy: -6.799 Base-Backbone interact. energy: -0.104 local terms energy: -24.684327 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: 0.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -36.199962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.199962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.199962 (E_RNA) where: Base-Base interactions energy: -8.937 where: short stacking energy: -7.626 Base-Backbone interact. energy: -0.107 local terms energy: -27.156392 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -34.416932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.416932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.416932 (E_RNA) where: Base-Base interactions energy: -9.846 where: short stacking energy: -9.846 Base-Backbone interact. energy: -0.061 local terms energy: -24.510052 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -47.743976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.743976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.743976 (E_RNA) where: Base-Base interactions energy: -16.095 where: short stacking energy: -16.095 Base-Backbone interact. energy: -0.000 local terms energy: -31.648682 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -5.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -38.005113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.005113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.005113 (E_RNA) where: Base-Base interactions energy: -8.495 where: short stacking energy: -8.495 Base-Backbone interact. energy: -0.002 local terms energy: -29.508169 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -5.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -49.526658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.526658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.526658 (E_RNA) where: Base-Base interactions energy: -17.846 where: short stacking energy: -17.846 Base-Backbone interact. energy: -0.058 local terms energy: -31.623257 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -6.358 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: 4, replica: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -39.379299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.379299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.379299 (E_RNA) where: Base-Base interactions energy: -9.560 where: short stacking energy: -9.560 Base-Backbone interact. energy: -0.030 local terms energy: -29.789167 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -8.741 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -2.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -34.423253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.423253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.423253 (E_RNA) where: Base-Base interactions energy: -11.563 where: short stacking energy: -11.563 Base-Backbone interact. energy: -0.047 local terms energy: -22.813016 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: 0.240 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -37.236380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.236380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.236380 (E_RNA) where: Base-Base interactions energy: -14.140 where: short stacking energy: -14.140 Base-Backbone interact. energy: -0.082 local terms energy: -23.014498 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -5.023 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -2.729 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: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -35.266168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.266168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.266168 (E_RNA) where: Base-Base interactions energy: -7.652 where: short stacking energy: -7.652 Base-Backbone interact. energy: -0.014 local terms energy: -27.600310 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -32.381943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.381943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.381943 (E_RNA) where: Base-Base interactions energy: -7.595 where: short stacking energy: -7.595 Base-Backbone interact. energy: -0.106 local terms energy: -24.680526 where: bonds (distance) C4'-P energy: -5.561 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -3.505 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: 9, replica: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -33.999332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.999332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.999332 (E_RNA) where: Base-Base interactions energy: -8.156 where: short stacking energy: -7.715 Base-Backbone interact. energy: -0.000 local terms energy: -25.843027 where: bonds (distance) C4'-P energy: -6.624 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -3.294 flat angles P-C4'-P energy: -4.012 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: 10, replica: 2 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -30.320170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.320170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.320170 (E_RNA) where: Base-Base interactions energy: -7.141 where: short stacking energy: -7.141 Base-Backbone interact. energy: -0.004 local terms energy: -23.175233 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -2.242 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: 1, replica: 9 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -52.309695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.309695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.309695 (E_RNA) where: Base-Base interactions energy: -22.129 where: short stacking energy: -22.129 Base-Backbone interact. energy: -0.100 local terms energy: -30.080945 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -6.766 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: 7 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -41.919883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.919883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.919883 (E_RNA) where: Base-Base interactions energy: -11.043 where: short stacking energy: -11.043 Base-Backbone interact. energy: -0.009 local terms energy: -30.867776 where: bonds (distance) C4'-P energy: -5.457 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -43.118674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.118674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.118674 (E_RNA) where: Base-Base interactions energy: -12.098 where: short stacking energy: -12.098 Base-Backbone interact. energy: -0.161 local terms energy: -30.859658 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -5.449 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: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -32.866539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.866539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.866539 (E_RNA) where: Base-Base interactions energy: -7.087 where: short stacking energy: -7.087 Base-Backbone interact. energy: -0.235 local terms energy: -25.544663 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -4.840 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -4.677 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: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -33.664635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.664635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.664635 (E_RNA) where: Base-Base interactions energy: -7.380 where: short stacking energy: -7.380 Base-Backbone interact. energy: -0.034 local terms energy: -26.251051 where: bonds (distance) C4'-P energy: -6.484 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -1.851 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: 6, replica: 3 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -44.597677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.597677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.597677 (E_RNA) where: Base-Base interactions energy: -15.851 where: short stacking energy: -15.851 Base-Backbone interact. energy: -0.002 local terms energy: -28.745071 where: bonds (distance) C4'-P energy: -6.013 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -2.959 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -6.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -33.775495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.775495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.775495 (E_RNA) where: Base-Base interactions energy: -7.947 where: short stacking energy: -7.744 Base-Backbone interact. energy: -0.353 local terms energy: -25.475151 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -4.218 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: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -31.900872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.900872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.900872 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.894 Base-Backbone interact. energy: -0.070 local terms energy: -24.936759 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: 1.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -35.333893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.333893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.333893 (E_RNA) where: Base-Base interactions energy: -9.195 where: short stacking energy: -9.195 Base-Backbone interact. energy: -0.001 local terms energy: -26.138545 where: bonds (distance) C4'-P energy: -7.047 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -2.445 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: 10, replica: 2 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -33.776958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.776958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.776958 (E_RNA) where: Base-Base interactions energy: -11.359 where: short stacking energy: -11.359 Base-Backbone interact. energy: -0.257 local terms energy: -22.161125 where: bonds (distance) C4'-P energy: -6.518 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -2.317 flat angles P-C4'-P energy: -4.349 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: 7 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -52.665792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.665792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.665792 (E_RNA) where: Base-Base interactions energy: -16.596 where: short stacking energy: -16.596 Base-Backbone interact. energy: -0.733 local terms energy: -35.337291 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -6.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -43.773573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.773573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.773573 (E_RNA) where: Base-Base interactions energy: -16.831 where: short stacking energy: -16.831 Base-Backbone interact. energy: -0.002 local terms energy: -26.941243 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -41.846913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.846913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.846913 (E_RNA) where: Base-Base interactions energy: -12.886 where: short stacking energy: -12.886 Base-Backbone interact. energy: -0.019 local terms energy: -28.942605 where: bonds (distance) C4'-P energy: -6.451 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -39.750649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.750649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.750649 (E_RNA) where: Base-Base interactions energy: -9.965 where: short stacking energy: -9.965 Base-Backbone interact. energy: -0.002 local terms energy: -29.783120 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.991 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: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -33.696751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.696751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.696751 (E_RNA) where: Base-Base interactions energy: -10.006 where: short stacking energy: -6.438 Base-Backbone interact. energy: -0.003 local terms energy: -23.687796 where: bonds (distance) C4'-P energy: -4.505 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -4.847 flat angles P-C4'-P energy: -5.617 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: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -39.210401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.210401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.210401 (E_RNA) where: Base-Base interactions energy: -14.666 where: short stacking energy: -14.666 Base-Backbone interact. energy: -0.000 local terms energy: -24.544326 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -2.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -35.531788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.531788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.531788 (E_RNA) where: Base-Base interactions energy: -12.217 where: short stacking energy: -12.217 Base-Backbone interact. energy: -0.089 local terms energy: -23.226304 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -1.324 flat angles P-C4'-P energy: -4.012 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: 8, replica: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -32.517513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.517513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.517513 (E_RNA) where: Base-Base interactions energy: -8.828 where: short stacking energy: -8.828 Base-Backbone interact. energy: -0.094 local terms energy: -23.594973 where: bonds (distance) C4'-P energy: -5.801 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -4.670 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: 9, replica: 2 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -30.405948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.405948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.405948 (E_RNA) where: Base-Base interactions energy: -3.099 where: short stacking energy: -3.099 Base-Backbone interact. energy: -0.058 local terms energy: -27.248392 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -29.491234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.491234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.491234 (E_RNA) where: Base-Base interactions energy: -7.601 where: short stacking energy: -7.601 Base-Backbone interact. energy: -0.010 local terms energy: -21.880549 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -43.767944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.767944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.767944 (E_RNA) where: Base-Base interactions energy: -17.067 where: short stacking energy: -13.868 Base-Backbone interact. energy: -0.016 local terms energy: -26.685471 where: bonds (distance) C4'-P energy: -4.191 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -44.800038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.800038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.800038 (E_RNA) where: Base-Base interactions energy: -14.729 where: short stacking energy: -14.729 Base-Backbone interact. energy: -0.001 local terms energy: -30.070170 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -38.980637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.980637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.980637 (E_RNA) where: Base-Base interactions energy: -13.118 where: short stacking energy: -13.016 Base-Backbone interact. energy: -0.066 local terms energy: -25.796821 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -6.241 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: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -39.485853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.485853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.485853 (E_RNA) where: Base-Base interactions energy: -15.097 where: short stacking energy: -15.097 Base-Backbone interact. energy: -0.678 local terms energy: -23.710750 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -4.724 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -4.916 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: 5, replica: 10 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -34.479869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.479869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.479869 (E_RNA) where: Base-Base interactions energy: -6.760 where: short stacking energy: -6.404 Base-Backbone interact. energy: -0.008 local terms energy: -27.710902 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.206 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: 6, replica: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -42.666984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.666984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.666984 (E_RNA) where: Base-Base interactions energy: -14.124 where: short stacking energy: -14.124 Base-Backbone interact. energy: -0.782 local terms energy: -27.760757 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -4.163 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: 7, replica: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -32.964010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.964010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.964010 (E_RNA) where: Base-Base interactions energy: -9.789 where: short stacking energy: -9.789 Base-Backbone interact. energy: -0.039 local terms energy: -23.135591 where: bonds (distance) C4'-P energy: -3.848 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -3.540 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: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -37.317390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.317390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.317390 (E_RNA) where: Base-Base interactions energy: -10.198 where: short stacking energy: -10.198 Base-Backbone interact. energy: -0.024 local terms energy: -27.094748 where: bonds (distance) C4'-P energy: -5.825 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -4.711 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: 9, replica: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -32.264130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.264130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.264130 (E_RNA) where: Base-Base interactions energy: -9.685 where: short stacking energy: -9.685 Base-Backbone interact. energy: -0.106 local terms energy: -22.473442 where: bonds (distance) C4'-P energy: -3.181 bonds (distance) P-C4' energy: -4.795 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -5.293 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: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -34.558094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.558094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.558094 (E_RNA) where: Base-Base interactions energy: -8.718 where: short stacking energy: -8.718 Base-Backbone interact. energy: -0.011 local terms energy: -25.829804 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -48.141262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.141262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.141262 (E_RNA) where: Base-Base interactions energy: -15.066 where: short stacking energy: -15.066 Base-Backbone interact. energy: -0.000 local terms energy: -33.075644 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -4.696 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: 180 Temperature: 0.950000 Total energy: -41.712276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.712276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.712276 (E_RNA) where: Base-Base interactions energy: -15.075 where: short stacking energy: -15.075 Base-Backbone interact. energy: -0.000 local terms energy: -26.637216 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -1.689 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: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -37.234498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.234498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.234498 (E_RNA) where: Base-Base interactions energy: -6.807 where: short stacking energy: -6.807 Base-Backbone interact. energy: -0.067 local terms energy: -30.359984 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -6.512 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: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -38.794247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.794247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.794247 (E_RNA) where: Base-Base interactions energy: -11.655 where: short stacking energy: -11.655 Base-Backbone interact. energy: -0.095 local terms energy: -27.044793 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -2.432 tors. eta vs tors. theta energy: -4.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -40.919346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.919346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.919346 (E_RNA) where: Base-Base interactions energy: -10.816 where: short stacking energy: -10.816 Base-Backbone interact. energy: -0.088 local terms energy: -30.015374 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -43.151154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.151154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.151154 (E_RNA) where: Base-Base interactions energy: -14.399 where: short stacking energy: -14.399 Base-Backbone interact. energy: -0.070 local terms energy: -28.681686 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -40.047403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.047403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.047403 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.068 local terms energy: -28.666278 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -6.002 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: 8, replica: 1 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -36.539795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.539795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.539795 (E_RNA) where: Base-Base interactions energy: -7.715 where: short stacking energy: -7.715 Base-Backbone interact. energy: -0.000 local terms energy: -28.824483 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.325 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: 9, replica: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -29.986705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.986705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.986705 (E_RNA) where: Base-Base interactions energy: -2.433 where: short stacking energy: -2.433 Base-Backbone interact. energy: 0.131 local terms energy: -27.685314 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -5.792 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: 6 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -32.316204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.316204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.316204 (E_RNA) where: Base-Base interactions energy: -7.207 where: short stacking energy: -7.207 Base-Backbone interact. energy: -0.015 local terms energy: -25.095084 where: bonds (distance) C4'-P energy: -4.469 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -4.230 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: 4 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -38.105464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.105464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.105464 (E_RNA) where: Base-Base interactions energy: -10.786 where: short stacking energy: -10.770 Base-Backbone interact. energy: -0.095 local terms energy: -27.224322 where: bonds (distance) C4'-P energy: -4.812 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -5.734 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: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -44.849026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.849026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.849026 (E_RNA) where: Base-Base interactions energy: -12.199 where: short stacking energy: -12.199 Base-Backbone interact. energy: -0.004 local terms energy: -32.646667 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -5.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -39.260949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.260949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.260949 (E_RNA) where: Base-Base interactions energy: -10.324 where: short stacking energy: -10.324 Base-Backbone interact. energy: -0.059 local terms energy: -28.878276 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -38.165337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.165337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.165337 (E_RNA) where: Base-Base interactions energy: -9.893 where: short stacking energy: -9.893 Base-Backbone interact. energy: -0.322 local terms energy: -27.950531 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -3.478 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: 5, replica: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -38.206964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.206964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.206964 (E_RNA) where: Base-Base interactions energy: -11.349 where: short stacking energy: -11.504 Base-Backbone interact. energy: -0.009 local terms energy: -26.848423 where: bonds (distance) C4'-P energy: -7.168 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -3.466 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: 181 Temperature: 1.150000 Total energy: -34.776148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.776148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.776148 (E_RNA) where: Base-Base interactions energy: -13.110 where: short stacking energy: -13.085 Base-Backbone interact. energy: -0.152 local terms energy: -21.514330 where: bonds (distance) C4'-P energy: -6.439 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -0.843 flat angles P-C4'-P energy: -4.401 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: 7, replica: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -33.853918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.853918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.853918 (E_RNA) where: Base-Base interactions energy: -6.418 where: short stacking energy: -6.418 Base-Backbone interact. energy: -0.000 local terms energy: -27.435653 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -36.863095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.863095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.863095 (E_RNA) where: Base-Base interactions energy: -14.569 where: short stacking energy: -14.569 Base-Backbone interact. energy: -0.008 local terms energy: -22.285617 where: bonds (distance) C4'-P energy: -5.228 bonds (distance) P-C4' energy: -4.364 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -5.512 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: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -32.656082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.656082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.656082 (E_RNA) where: Base-Base interactions energy: -8.898 where: short stacking energy: -8.898 Base-Backbone interact. energy: -0.114 local terms energy: -23.644049 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -35.190613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.190613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.190613 (E_RNA) where: Base-Base interactions energy: -10.998 where: short stacking energy: -10.998 Base-Backbone interact. energy: -0.104 local terms energy: -24.088158 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -5.693 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -2.657 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: 1, replica: 4 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -55.054364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.054364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.054364 (E_RNA) where: Base-Base interactions energy: -20.375 where: short stacking energy: -20.375 Base-Backbone interact. energy: -0.000 local terms energy: -34.679764 where: bonds (distance) C4'-P energy: -6.335 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -8.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -43.894319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.894319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.894319 (E_RNA) where: Base-Base interactions energy: -13.215 where: short stacking energy: -13.215 Base-Backbone interact. energy: -0.000 local terms energy: -30.678843 where: bonds (distance) C4'-P energy: -5.602 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -3.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -37.401132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.401132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.401132 (E_RNA) where: Base-Base interactions energy: -6.707 where: short stacking energy: -6.707 Base-Backbone interact. energy: -0.099 local terms energy: -30.595360 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -6.718 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: 4, replica: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -36.449948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.449948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.449948 (E_RNA) where: Base-Base interactions energy: -6.661 where: short stacking energy: -5.183 Base-Backbone interact. energy: -0.097 local terms energy: -29.692440 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -4.243 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: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -36.763707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.763707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.763707 (E_RNA) where: Base-Base interactions energy: -8.028 where: short stacking energy: -8.028 Base-Backbone interact. energy: -0.146 local terms energy: -28.589477 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -6.986 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: 6, replica: 8 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -42.593213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.593213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.593213 (E_RNA) where: Base-Base interactions energy: -13.788 where: short stacking energy: -13.788 Base-Backbone interact. energy: -0.018 local terms energy: -28.787024 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -4.902 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -31.602276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.602276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.602276 (E_RNA) where: Base-Base interactions energy: -8.636 where: short stacking energy: -7.694 Base-Backbone interact. energy: -0.150 local terms energy: -22.817143 where: bonds (distance) C4'-P energy: -7.263 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -4.566 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: 8, replica: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -36.671915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.671915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.671915 (E_RNA) where: Base-Base interactions energy: -10.017 where: short stacking energy: -10.017 Base-Backbone interact. energy: -0.031 local terms energy: -26.624200 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -3.151 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -31.925161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.925161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.925161 (E_RNA) where: Base-Base interactions energy: -7.949 where: short stacking energy: -7.949 Base-Backbone interact. energy: -0.000 local terms energy: -23.976356 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -34.009757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.009757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.009757 (E_RNA) where: Base-Base interactions energy: -9.416 where: short stacking energy: -9.416 Base-Backbone interact. energy: -0.000 local terms energy: -24.593553 where: bonds (distance) C4'-P energy: -6.165 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -1.701 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: 1, replica: 4 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -38.926126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.926126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.926126 (E_RNA) where: Base-Base interactions energy: -9.757 where: short stacking energy: -9.757 Base-Backbone interact. energy: -0.011 local terms energy: -29.158122 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -4.125 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: 2, replica: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -39.090657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.090657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.090657 (E_RNA) where: Base-Base interactions energy: -8.505 where: short stacking energy: -8.505 Base-Backbone interact. energy: -0.017 local terms energy: -30.568818 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -7.337 flat angles P-C4'-P energy: -5.347 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: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -40.509831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.509831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.509831 (E_RNA) where: Base-Base interactions energy: -13.880 where: short stacking energy: -13.880 Base-Backbone interact. energy: -0.002 local terms energy: -26.627450 where: bonds (distance) C4'-P energy: -5.345 bonds (distance) P-C4' energy: -5.030 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -38.619584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.619584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.619584 (E_RNA) where: Base-Base interactions energy: -12.769 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.022 local terms energy: -25.828269 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.649 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: 5, replica: 7 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -39.039574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.039574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.039574 (E_RNA) where: Base-Base interactions energy: -7.580 where: short stacking energy: -7.580 Base-Backbone interact. energy: -0.091 local terms energy: -31.369380 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -6.399 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: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -34.510873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.510873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.510873 (E_RNA) where: Base-Base interactions energy: -9.492 where: short stacking energy: -8.342 Base-Backbone interact. energy: -0.066 local terms energy: -24.952974 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -3.156 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: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -40.029622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.029622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.029622 (E_RNA) where: Base-Base interactions energy: -9.172 where: short stacking energy: -9.076 Base-Backbone interact. energy: -1.251 local terms energy: -29.606786 where: bonds (distance) C4'-P energy: -6.174 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -32.520503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.520503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.520503 (E_RNA) where: Base-Base interactions energy: -7.031 where: short stacking energy: -6.896 Base-Backbone interact. energy: -0.160 local terms energy: -25.328950 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: 0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -32.144066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.144066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.144066 (E_RNA) where: Base-Base interactions energy: -5.516 where: short stacking energy: -4.715 Base-Backbone interact. energy: -0.018 local terms energy: -26.610366 where: bonds (distance) C4'-P energy: -6.314 bonds (distance) P-C4' energy: -6.633 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -37.218508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.218508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.218508 (E_RNA) where: Base-Base interactions energy: -11.857 where: short stacking energy: -11.857 Base-Backbone interact. energy: -0.001 local terms energy: -25.360900 where: bonds (distance) C4'-P energy: -2.915 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -7.723 flat angles P-C4'-P energy: -3.067 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: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -44.706357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.706357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.706357 (E_RNA) where: Base-Base interactions energy: -13.191 where: short stacking energy: -13.191 Base-Backbone interact. energy: -0.022 local terms energy: -31.493284 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.123 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -44.214112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.214112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.214112 (E_RNA) where: Base-Base interactions energy: -17.660 where: short stacking energy: -17.660 Base-Backbone interact. energy: -0.055 local terms energy: -26.498517 where: bonds (distance) C4'-P energy: -5.218 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -4.440 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: 3, replica: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -45.857594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.857594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.857594 (E_RNA) where: Base-Base interactions energy: -17.398 where: short stacking energy: -17.398 Base-Backbone interact. energy: -0.074 local terms energy: -28.386336 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -39.733212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.733212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.733212 (E_RNA) where: Base-Base interactions energy: -10.923 where: short stacking energy: -10.923 Base-Backbone interact. energy: -0.000 local terms energy: -28.809865 where: bonds (distance) C4'-P energy: -7.564 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -5.269 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: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -38.267559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.267559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.267559 (E_RNA) where: Base-Base interactions energy: -9.077 where: short stacking energy: -9.077 Base-Backbone interact. energy: -0.133 local terms energy: -29.058134 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -33.822813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.822813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.822813 (E_RNA) where: Base-Base interactions energy: -7.573 where: short stacking energy: -7.573 Base-Backbone interact. energy: -0.135 local terms energy: -26.114803 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.761 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: 7, replica: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -36.245500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.245500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.245500 (E_RNA) where: Base-Base interactions energy: -9.463 where: short stacking energy: -9.463 Base-Backbone interact. energy: -0.342 local terms energy: -26.440665 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -34.684145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.684145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.684145 (E_RNA) where: Base-Base interactions energy: -8.728 where: short stacking energy: -8.728 Base-Backbone interact. energy: -0.000 local terms energy: -25.956107 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -4.793 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: 6 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -30.699940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.699940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.699940 (E_RNA) where: Base-Base interactions energy: -7.374 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.100 local terms energy: -23.225321 where: bonds (distance) C4'-P energy: -5.461 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: 0.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -32.784911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.784911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.784911 (E_RNA) where: Base-Base interactions energy: -8.491 where: short stacking energy: -7.722 Base-Backbone interact. energy: -0.368 local terms energy: -23.926024 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -3.376 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: 1, replica: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -43.810585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.810585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.810585 (E_RNA) where: Base-Base interactions energy: -13.248 where: short stacking energy: -13.248 Base-Backbone interact. energy: -0.000 local terms energy: -30.562137 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -5.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -42.789227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.789227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.789227 (E_RNA) where: Base-Base interactions energy: -11.137 where: short stacking energy: -11.137 Base-Backbone interact. energy: 0.265 local terms energy: -31.916921 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -5.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -42.583265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.583265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.583265 (E_RNA) where: Base-Base interactions energy: -10.020 where: short stacking energy: -10.020 Base-Backbone interact. energy: -0.082 local terms energy: -32.481588 where: bonds (distance) C4'-P energy: -6.402 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -36.416868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.416868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.416868 (E_RNA) where: Base-Base interactions energy: -8.836 where: short stacking energy: -8.836 Base-Backbone interact. energy: -0.045 local terms energy: -27.535226 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -37.386452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.386452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.386452 (E_RNA) where: Base-Base interactions energy: -8.056 where: short stacking energy: -8.056 Base-Backbone interact. energy: -0.092 local terms energy: -29.238768 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -8.257 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -38.524590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.524590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.524590 (E_RNA) where: Base-Base interactions energy: -9.371 where: short stacking energy: -8.479 Base-Backbone interact. energy: -0.210 local terms energy: -28.943611 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -6.150 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: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -32.168529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.168529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.168529 (E_RNA) where: Base-Base interactions energy: -7.188 where: short stacking energy: -7.188 Base-Backbone interact. energy: -0.084 local terms energy: -24.896230 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -4.402 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: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -34.591664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.591664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.591664 (E_RNA) where: Base-Base interactions energy: -6.477 where: short stacking energy: -6.477 Base-Backbone interact. energy: -0.060 local terms energy: -28.054592 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -5.640 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: 9, replica: 8 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -32.087616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.087616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.087616 (E_RNA) where: Base-Base interactions energy: -6.742 where: short stacking energy: -4.368 Base-Backbone interact. energy: -0.018 local terms energy: -25.328079 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -5.930 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -29.904028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.904028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.904028 (E_RNA) where: Base-Base interactions energy: -4.330 where: short stacking energy: -4.330 Base-Backbone interact. energy: -1.597 local terms energy: -23.977372 where: bonds (distance) C4'-P energy: -2.641 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -6.726 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: 1, replica: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -42.453028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.453028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.453028 (E_RNA) where: Base-Base interactions energy: -14.584 where: short stacking energy: -14.584 Base-Backbone interact. energy: -0.003 local terms energy: -27.865262 where: bonds (distance) C4'-P energy: -6.874 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -42.176867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.176867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.176867 (E_RNA) where: Base-Base interactions energy: -12.072 where: short stacking energy: -12.072 Base-Backbone interact. energy: -0.012 local terms energy: -30.093309 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -3.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -43.205017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.205017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.205017 (E_RNA) where: Base-Base interactions energy: -11.285 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.175 local terms energy: -31.744826 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -5.893 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: 4, replica: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -37.766285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.766285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.766285 (E_RNA) where: Base-Base interactions energy: -8.171 where: short stacking energy: -8.171 Base-Backbone interact. energy: -0.004 local terms energy: -29.591379 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -5.798 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: 5, replica: 7 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -35.971531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.971531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.971531 (E_RNA) where: Base-Base interactions energy: -8.897 where: short stacking energy: -8.897 Base-Backbone interact. energy: -0.057 local terms energy: -27.016899 where: bonds (distance) C4'-P energy: -5.656 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -5.827 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: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -34.572391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.572391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.572391 (E_RNA) where: Base-Base interactions energy: -13.183 where: short stacking energy: -13.183 Base-Backbone interact. energy: -0.076 local terms energy: -21.312707 where: bonds (distance) C4'-P energy: -2.521 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -3.961 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: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -35.728622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.728622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.728622 (E_RNA) where: Base-Base interactions energy: -9.441 where: short stacking energy: -9.441 Base-Backbone interact. energy: 0.450 local terms energy: -26.738079 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -6.508 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: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -33.059292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.059292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.059292 (E_RNA) where: Base-Base interactions energy: -4.206 where: short stacking energy: -4.206 Base-Backbone interact. energy: -0.000 local terms energy: -28.852847 where: bonds (distance) C4'-P energy: -6.236 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -4.392 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: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -29.800822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.800822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.800822 (E_RNA) where: Base-Base interactions energy: -1.128 where: short stacking energy: -1.128 Base-Backbone interact. energy: -0.104 local terms energy: -28.567966 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -33.416861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.416861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.416861 (E_RNA) where: Base-Base interactions energy: -10.158 where: short stacking energy: -10.158 Base-Backbone interact. energy: -0.001 local terms energy: -23.258583 where: bonds (distance) C4'-P energy: -3.938 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -5.433 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: 1, replica: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -47.398637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.398637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.398637 (E_RNA) where: Base-Base interactions energy: -14.598 where: short stacking energy: -13.319 Base-Backbone interact. energy: -0.000 local terms energy: -32.800960 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -43.470663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.470663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.470663 (E_RNA) where: Base-Base interactions energy: -15.015 where: short stacking energy: -13.457 Base-Backbone interact. energy: -0.000 local terms energy: -28.455184 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -5.987 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: 3, replica: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -50.329076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.329076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.329076 (E_RNA) where: Base-Base interactions energy: -18.242 where: short stacking energy: -14.812 Base-Backbone interact. energy: -0.009 local terms energy: -32.077325 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -6.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -40.034894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.034894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.034894 (E_RNA) where: Base-Base interactions energy: -10.900 where: short stacking energy: -10.900 Base-Backbone interact. energy: -0.000 local terms energy: -29.135012 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -3.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -37.203719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.203719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.203719 (E_RNA) where: Base-Base interactions energy: -7.987 where: short stacking energy: -7.987 Base-Backbone interact. energy: -0.000 local terms energy: -29.216735 where: bonds (distance) C4'-P energy: -6.037 bonds (distance) P-C4' energy: -5.035 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -6.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -36.426031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.426031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.426031 (E_RNA) where: Base-Base interactions energy: -12.261 where: short stacking energy: -12.261 Base-Backbone interact. energy: -0.000 local terms energy: -24.164702 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -5.629 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -36.930623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.930623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.930623 (E_RNA) where: Base-Base interactions energy: -8.066 where: short stacking energy: -7.838 Base-Backbone interact. energy: -0.106 local terms energy: -28.758650 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -4.939 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: 8, replica: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -33.957934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.957934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.957934 (E_RNA) where: Base-Base interactions energy: -6.784 where: short stacking energy: -6.525 Base-Backbone interact. energy: -0.005 local terms energy: -27.168786 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -6.539 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: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -34.281325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.281325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.281325 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -6.998 Base-Backbone interact. energy: -0.197 local terms energy: -21.456807 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -3.064 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -30.590259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.590259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.590259 (E_RNA) where: Base-Base interactions energy: -7.815 where: short stacking energy: -6.863 Base-Backbone interact. energy: -0.111 local terms energy: -22.663907 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.721 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: 1, replica: 2 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -42.218469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.218469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.218469 (E_RNA) where: Base-Base interactions energy: -11.952 where: short stacking energy: -11.952 Base-Backbone interact. energy: -0.000 local terms energy: -30.266718 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -4.038 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: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -46.445126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.445126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.445126 (E_RNA) where: Base-Base interactions energy: -16.073 where: short stacking energy: -16.073 Base-Backbone interact. energy: -0.099 local terms energy: -30.273153 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -37.660851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.660851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.660851 (E_RNA) where: Base-Base interactions energy: -10.116 where: short stacking energy: -10.116 Base-Backbone interact. energy: -0.000 local terms energy: -27.545039 where: bonds (distance) C4'-P energy: -5.872 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -4.495 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: 4, replica: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -40.400053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.400053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.400053 (E_RNA) where: Base-Base interactions energy: -10.501 where: short stacking energy: -10.501 Base-Backbone interact. energy: -0.033 local terms energy: -29.865894 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -6.636 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: 188 Temperature: 1.100000 Total energy: -38.501293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.501293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.501293 (E_RNA) where: Base-Base interactions energy: -12.586 where: short stacking energy: -12.586 Base-Backbone interact. energy: -0.327 local terms energy: -25.588677 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -7.675 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -1.873 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: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -37.619863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.619863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.619863 (E_RNA) where: Base-Base interactions energy: -9.274 where: short stacking energy: -9.274 Base-Backbone interact. energy: -0.168 local terms energy: -28.178458 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -6.749 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -3.441 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: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -32.494541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.494541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.494541 (E_RNA) where: Base-Base interactions energy: -7.338 where: short stacking energy: -7.338 Base-Backbone interact. energy: -0.098 local terms energy: -25.058214 where: bonds (distance) C4'-P energy: -5.052 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -32.870421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.870421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.870421 (E_RNA) where: Base-Base interactions energy: -4.957 where: short stacking energy: -4.957 Base-Backbone interact. energy: -0.001 local terms energy: -27.911680 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -5.932 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: 8 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -35.047818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.047818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.047818 (E_RNA) where: Base-Base interactions energy: -6.238 where: short stacking energy: -6.238 Base-Backbone interact. energy: -0.104 local terms energy: -28.706574 where: bonds (distance) C4'-P energy: -5.869 bonds (distance) P-C4' energy: -6.908 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -33.478089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.478089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.478089 (E_RNA) where: Base-Base interactions energy: -6.440 where: short stacking energy: -6.440 Base-Backbone interact. energy: -0.149 local terms energy: -26.888810 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -6.086 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -54.221457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.221457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.221457 (E_RNA) where: Base-Base interactions energy: -19.438 where: short stacking energy: -19.438 Base-Backbone interact. energy: -0.000 local terms energy: -34.783715 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -49.146732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.146732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.146732 (E_RNA) where: Base-Base interactions energy: -14.982 where: short stacking energy: -14.982 Base-Backbone interact. energy: -0.009 local terms energy: -34.155687 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -7.208 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: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -44.807775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.807775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.807775 (E_RNA) where: Base-Base interactions energy: -13.640 where: short stacking energy: -13.640 Base-Backbone interact. energy: -0.000 local terms energy: -31.167464 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -45.077028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.077028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.077028 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.000 local terms energy: -32.476704 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -40.043892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.043892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.043892 (E_RNA) where: Base-Base interactions energy: -11.722 where: short stacking energy: -11.722 Base-Backbone interact. energy: -0.015 local terms energy: -28.306754 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -33.683787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.683787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.683787 (E_RNA) where: Base-Base interactions energy: -7.266 where: short stacking energy: -7.266 Base-Backbone interact. energy: -0.212 local terms energy: -26.205678 where: bonds (distance) C4'-P energy: -5.801 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -34.588346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.588346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.588346 (E_RNA) where: Base-Base interactions energy: -9.752 where: short stacking energy: -9.752 Base-Backbone interact. energy: -0.020 local terms energy: -24.816697 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -34.558384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.558384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.558384 (E_RNA) where: Base-Base interactions energy: -10.277 where: short stacking energy: -10.277 Base-Backbone interact. energy: -0.006 local terms energy: -24.275178 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -3.831 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: 8 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -32.594585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594585 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -4.967 Base-Backbone interact. energy: -0.002 local terms energy: -24.392967 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -1.562 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: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -29.379360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.379360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.379360 (E_RNA) where: Base-Base interactions energy: -6.383 where: short stacking energy: -6.383 Base-Backbone interact. energy: -0.032 local terms energy: -22.964172 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -1.880 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: 1, replica: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -41.619088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.619088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.619088 (E_RNA) where: Base-Base interactions energy: -10.650 where: short stacking energy: -10.650 Base-Backbone interact. energy: -0.016 local terms energy: -30.953067 where: bonds (distance) C4'-P energy: -5.834 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -5.583 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: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -38.724404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.724404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.724404 (E_RNA) where: Base-Base interactions energy: -9.896 where: short stacking energy: -9.896 Base-Backbone interact. energy: -0.088 local terms energy: -28.740705 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.258 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -44.480947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.480947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.480947 (E_RNA) where: Base-Base interactions energy: -16.159 where: short stacking energy: -16.159 Base-Backbone interact. energy: -0.092 local terms energy: -28.230190 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -40.533560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.533560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.533560 (E_RNA) where: Base-Base interactions energy: -14.336 where: short stacking energy: -14.336 Base-Backbone interact. energy: -0.063 local terms energy: -26.135006 where: bonds (distance) C4'-P energy: -4.281 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -3.946 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: 5, replica: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -38.248182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.248182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.248182 (E_RNA) where: Base-Base interactions energy: -10.611 where: short stacking energy: -10.611 Base-Backbone interact. energy: -0.071 local terms energy: -27.565975 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -35.774929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.774929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.774929 (E_RNA) where: Base-Base interactions energy: -7.788 where: short stacking energy: -7.788 Base-Backbone interact. energy: -0.232 local terms energy: -27.754844 where: bonds (distance) C4'-P energy: -5.925 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -2.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -36.928577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.928577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.928577 (E_RNA) where: Base-Base interactions energy: -10.901 where: short stacking energy: -10.901 Base-Backbone interact. energy: -0.053 local terms energy: -25.975211 where: bonds (distance) C4'-P energy: -6.535 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -3.008 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: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -34.719214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.719214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.719214 (E_RNA) where: Base-Base interactions energy: -9.256 where: short stacking energy: -7.913 Base-Backbone interact. energy: -0.935 local terms energy: -24.528199 where: bonds (distance) C4'-P energy: -5.648 bonds (distance) P-C4' energy: -6.866 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: 1.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -29.801381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.801381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.801381 (E_RNA) where: Base-Base interactions energy: -2.613 where: short stacking energy: -2.613 Base-Backbone interact. energy: -0.006 local terms energy: -27.182031 where: bonds (distance) C4'-P energy: -6.128 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -42.582000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.582000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.582000 (E_RNA) where: Base-Base interactions energy: -12.505 where: short stacking energy: -12.505 Base-Backbone interact. energy: -0.083 local terms energy: -29.994027 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -3.127 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -5.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -46.228382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.228382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.228382 (E_RNA) where: Base-Base interactions energy: -15.564 where: short stacking energy: -15.564 Base-Backbone interact. energy: -0.002 local terms energy: -30.662182 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -4.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -37.108745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.108745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.108745 (E_RNA) where: Base-Base interactions energy: -12.276 where: short stacking energy: -9.584 Base-Backbone interact. energy: -0.174 local terms energy: -24.659016 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -5.160 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -5.838 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: 3, replica: 2 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -37.664481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.664481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.664481 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.098 local terms energy: -26.932890 where: bonds (distance) C4'-P energy: -6.401 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -4.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -35.933784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.933784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.933784 (E_RNA) where: Base-Base interactions energy: -11.217 where: short stacking energy: -11.217 Base-Backbone interact. energy: -0.025 local terms energy: -24.691945 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -2.060 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: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -43.705683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.705683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.705683 (E_RNA) where: Base-Base interactions energy: -13.700 where: short stacking energy: -13.700 Base-Backbone interact. energy: -0.000 local terms energy: -30.005415 where: bonds (distance) C4'-P energy: -5.561 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -5.311 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: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -35.437618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.437618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.437618 (E_RNA) where: Base-Base interactions energy: -7.411 where: short stacking energy: -7.411 Base-Backbone interact. energy: -0.054 local terms energy: -27.972677 where: bonds (distance) C4'-P energy: -3.227 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -31.299548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.299548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.299548 (E_RNA) where: Base-Base interactions energy: -8.419 where: short stacking energy: -8.419 Base-Backbone interact. energy: -0.001 local terms energy: -22.880247 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -6.703 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -35.478561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.478561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.478561 (E_RNA) where: Base-Base interactions energy: -10.139 where: short stacking energy: -10.139 Base-Backbone interact. energy: -0.000 local terms energy: -25.339144 where: bonds (distance) C4'-P energy: -3.503 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -31.159290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.159290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.159290 (E_RNA) where: Base-Base interactions energy: -6.400 where: short stacking energy: -6.400 Base-Backbone interact. energy: -0.055 local terms energy: -24.704960 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: 0.266 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: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -39.312434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.312434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.312434 (E_RNA) where: Base-Base interactions energy: -13.149 where: short stacking energy: -13.149 Base-Backbone interact. energy: -0.005 local terms energy: -26.158888 where: bonds (distance) C4'-P energy: -6.327 bonds (distance) P-C4' energy: -5.917 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -53.357287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.357287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.357287 (E_RNA) where: Base-Base interactions energy: -19.326 where: short stacking energy: -19.326 Base-Backbone interact. energy: -0.088 local terms energy: -33.943491 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -44.029905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.029905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.029905 (E_RNA) where: Base-Base interactions energy: -13.633 where: short stacking energy: -13.633 Base-Backbone interact. energy: -0.004 local terms energy: -30.392185 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -6.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -39.479208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.479208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.479208 (E_RNA) where: Base-Base interactions energy: -12.066 where: short stacking energy: -12.066 Base-Backbone interact. energy: -0.010 local terms energy: -27.402767 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -5.927 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -4.458 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: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -37.177904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.177904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.177904 (E_RNA) where: Base-Base interactions energy: -10.901 where: short stacking energy: -10.201 Base-Backbone interact. energy: -0.050 local terms energy: -26.226583 where: bonds (distance) C4'-P energy: -4.095 bonds (distance) P-C4' energy: -6.604 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -38.136170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.136170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.136170 (E_RNA) where: Base-Base interactions energy: -10.922 where: short stacking energy: -10.922 Base-Backbone interact. energy: -0.013 local terms energy: -27.202042 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -3.409 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: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -43.530669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.530669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.530669 (E_RNA) where: Base-Base interactions energy: -14.023 where: short stacking energy: -12.306 Base-Backbone interact. energy: -0.034 local terms energy: -29.472861 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -4.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -37.537354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.537354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.537354 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.001 local terms energy: -27.152006 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -29.772885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.772885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.772885 (E_RNA) where: Base-Base interactions energy: -3.755 where: short stacking energy: -3.755 Base-Backbone interact. energy: -0.095 local terms energy: -25.922885 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: 1.198 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: 9, replica: 8 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -30.887624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.887624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.887624 (E_RNA) where: Base-Base interactions energy: -3.423 where: short stacking energy: -3.423 Base-Backbone interact. energy: -0.019 local terms energy: -27.446185 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -3.569 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -31.870341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.870341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.870341 (E_RNA) where: Base-Base interactions energy: -6.671 where: short stacking energy: -6.671 Base-Backbone interact. energy: -0.041 local terms energy: -25.158029 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -2.987 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: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -48.021725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.021725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.021725 (E_RNA) where: Base-Base interactions energy: -17.304 where: short stacking energy: -17.304 Base-Backbone interact. energy: -0.000 local terms energy: -30.717165 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -6.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -37.215222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.215222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.215222 (E_RNA) where: Base-Base interactions energy: -10.042 where: short stacking energy: -10.042 Base-Backbone interact. energy: -0.056 local terms energy: -27.117001 where: bonds (distance) C4'-P energy: -5.665 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -48.773805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.773805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.773805 (E_RNA) where: Base-Base interactions energy: -17.181 where: short stacking energy: -17.181 Base-Backbone interact. energy: -0.026 local terms energy: -31.566657 where: bonds (distance) C4'-P energy: -6.624 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -5.973 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: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -41.744765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.744765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.744765 (E_RNA) where: Base-Base interactions energy: -13.335 where: short stacking energy: -13.335 Base-Backbone interact. energy: -0.107 local terms energy: -28.302263 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -36.748892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.748892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.748892 (E_RNA) where: Base-Base interactions energy: -12.960 where: short stacking energy: -12.960 Base-Backbone interact. energy: -0.004 local terms energy: -23.785392 where: bonds (distance) C4'-P energy: -5.212 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -2.226 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -35.145567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.145567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.145567 (E_RNA) where: Base-Base interactions energy: -7.950 where: short stacking energy: -7.950 Base-Backbone interact. energy: -0.054 local terms energy: -27.141778 where: bonds (distance) C4'-P energy: -5.897 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -3.600 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: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -31.397651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.397651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.397651 (E_RNA) where: Base-Base interactions energy: -5.974 where: short stacking energy: -5.974 Base-Backbone interact. energy: -0.001 local terms energy: -25.422488 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -0.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -38.617147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.617147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.617147 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.006 local terms energy: -27.092168 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -31.420922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.420922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.420922 (E_RNA) where: Base-Base interactions energy: -5.924 where: short stacking energy: -5.924 Base-Backbone interact. energy: -0.005 local terms energy: -25.491562 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -3.362 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: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -32.721080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.721080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.721080 (E_RNA) where: Base-Base interactions energy: -10.609 where: short stacking energy: -10.609 Base-Backbone interact. energy: -1.053 local terms energy: -21.059277 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -2.798 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -40.091618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.091618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.091618 (E_RNA) where: Base-Base interactions energy: -10.569 where: short stacking energy: -10.569 Base-Backbone interact. energy: -0.062 local terms energy: -29.460593 where: bonds (distance) C4'-P energy: -7.734 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -5.139 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: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -42.187373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.187373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.187373 (E_RNA) where: Base-Base interactions energy: -10.858 where: short stacking energy: -10.858 Base-Backbone interact. energy: -0.096 local terms energy: -31.234068 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -46.842326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.842326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.842326 (E_RNA) where: Base-Base interactions energy: -16.201 where: short stacking energy: -14.958 Base-Backbone interact. energy: -0.000 local terms energy: -30.640842 where: bonds (distance) C4'-P energy: -2.663 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -8.154 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -7.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 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: -10.764 where: short stacking energy: -10.864 Base-Backbone interact. energy: -0.690 local terms energy: -26.448845 where: bonds (distance) C4'-P energy: -5.118 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -3.933 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: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -37.128555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.128555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.128555 (E_RNA) where: Base-Base interactions energy: -10.487 where: short stacking energy: -10.487 Base-Backbone interact. energy: -0.003 local terms energy: -26.638246 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -37.761918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.761918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.761918 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.007 local terms energy: -26.553659 where: bonds (distance) C4'-P energy: -5.069 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -8.384 flat angles P-C4'-P energy: -3.482 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: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -36.208883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.208883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.208883 (E_RNA) where: Base-Base interactions energy: -10.538 where: short stacking energy: -10.538 Base-Backbone interact. energy: -0.003 local terms energy: -25.668738 where: bonds (distance) C4'-P energy: -6.422 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -4.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -35.901333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.901333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.901333 (E_RNA) where: Base-Base interactions energy: -9.025 where: short stacking energy: -9.025 Base-Backbone interact. energy: -0.000 local terms energy: -26.876207 where: bonds (distance) C4'-P energy: -6.277 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -3.402 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: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -29.742383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.742383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.742383 (E_RNA) where: Base-Base interactions energy: -2.562 where: short stacking energy: -2.562 Base-Backbone interact. energy: -0.006 local terms energy: -27.174409 where: bonds (distance) C4'-P energy: -5.019 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.734 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -33.826016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.826016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.826016 (E_RNA) where: Base-Base interactions energy: -10.482 where: short stacking energy: -10.482 Base-Backbone interact. energy: -0.008 local terms energy: -23.335673 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -3.352 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -3.018 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: 1, replica: 9 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -41.227194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.227194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.227194 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -12.023 Base-Backbone interact. energy: -0.120 local terms energy: -29.083718 where: bonds (distance) C4'-P energy: -5.751 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.530 flat angles P-C4'-P energy: -4.434 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: 2, replica: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -42.026798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.026798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.026798 (E_RNA) where: Base-Base interactions energy: -13.458 where: short stacking energy: -13.458 Base-Backbone interact. energy: -0.004 local terms energy: -28.564870 where: bonds (distance) C4'-P energy: -6.389 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -4.074 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: 3, replica: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -44.503166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.503166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.503166 (E_RNA) where: Base-Base interactions energy: -14.549 where: short stacking energy: -11.450 Base-Backbone interact. energy: -1.058 local terms energy: -28.896276 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -6.448 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -5.864 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: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -47.096836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.096836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.096836 (E_RNA) where: Base-Base interactions energy: -17.204 where: short stacking energy: -17.204 Base-Backbone interact. energy: -0.021 local terms energy: -29.872392 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -40.168712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.168712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.168712 (E_RNA) where: Base-Base interactions energy: -13.202 where: short stacking energy: -13.202 Base-Backbone interact. energy: -0.001 local terms energy: -26.964993 where: bonds (distance) C4'-P energy: -6.525 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -40.400532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.400532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.400532 (E_RNA) where: Base-Base interactions energy: -9.535 where: short stacking energy: -9.535 Base-Backbone interact. energy: -0.000 local terms energy: -30.865281 where: bonds (distance) C4'-P energy: -5.499 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -5.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -35.973469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.973469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.973469 (E_RNA) where: Base-Base interactions energy: -12.207 where: short stacking energy: -12.207 Base-Backbone interact. energy: -0.065 local terms energy: -23.701515 where: bonds (distance) C4'-P energy: -4.497 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -4.185 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: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -37.123190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.123190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.123190 (E_RNA) where: Base-Base interactions energy: -13.481 where: short stacking energy: -13.481 Base-Backbone interact. energy: -0.144 local terms energy: -23.498038 where: bonds (distance) C4'-P energy: -2.286 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -5.208 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: 9, replica: 6 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -32.761079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.761079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.761079 (E_RNA) where: Base-Base interactions energy: -7.516 where: short stacking energy: -7.516 Base-Backbone interact. energy: -0.178 local terms energy: -25.067258 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -3.657 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: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -31.136136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.136136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.136136 (E_RNA) where: Base-Base interactions energy: -4.841 where: short stacking energy: -4.841 Base-Backbone interact. energy: -0.025 local terms energy: -26.270361 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -51.737451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.737451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.737451 (E_RNA) where: Base-Base interactions energy: -21.406 where: short stacking energy: -21.406 Base-Backbone interact. energy: -0.105 local terms energy: -30.227168 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -4.546 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: 2, replica: 7 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -43.268350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.268350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.268350 (E_RNA) where: Base-Base interactions energy: -11.755 where: short stacking energy: -11.755 Base-Backbone interact. energy: 0.037 local terms energy: -31.550367 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -3.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -46.598661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.598661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.598661 (E_RNA) where: Base-Base interactions energy: -13.944 where: short stacking energy: -13.944 Base-Backbone interact. energy: -0.003 local terms energy: -32.652064 where: bonds (distance) C4'-P energy: -6.219 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -6.129 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: 4, replica: 5 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -43.997095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.997095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.997095 (E_RNA) where: Base-Base interactions energy: -17.949 where: short stacking energy: -17.949 Base-Backbone interact. energy: -0.105 local terms energy: -25.942653 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -5.660 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -4.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -38.826559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.826559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.826559 (E_RNA) where: Base-Base interactions energy: -11.375 where: short stacking energy: -11.375 Base-Backbone interact. energy: -0.033 local terms energy: -27.417957 where: bonds (distance) C4'-P energy: -6.166 bonds (distance) P-C4' energy: -7.132 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -0.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -39.779296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.779296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.779296 (E_RNA) where: Base-Base interactions energy: -13.443 where: short stacking energy: -13.443 Base-Backbone interact. energy: -0.048 local terms energy: -26.288586 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -40.128060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.128060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.128060 (E_RNA) where: Base-Base interactions energy: -11.510 where: short stacking energy: -11.510 Base-Backbone interact. energy: -0.029 local terms energy: -28.589473 where: bonds (distance) C4'-P energy: -6.451 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -31.753564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.753564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.753564 (E_RNA) where: Base-Base interactions energy: -11.010 where: short stacking energy: -11.010 Base-Backbone interact. energy: -0.131 local terms energy: -20.612650 where: bonds (distance) C4'-P energy: -5.686 bonds (distance) P-C4' energy: -6.393 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -0.909 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: 9, replica: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -31.725240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.725240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.725240 (E_RNA) where: Base-Base interactions energy: -5.943 where: short stacking energy: -5.943 Base-Backbone interact. energy: -0.179 local terms energy: -25.603189 where: bonds (distance) C4'-P energy: -6.112 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -6.324 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -30.189797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.189797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.189797 (E_RNA) where: Base-Base interactions energy: -3.625 where: short stacking energy: -3.274 Base-Backbone interact. energy: -0.002 local terms energy: -26.563369 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -47.158332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.158332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.158332 (E_RNA) where: Base-Base interactions energy: -16.092 where: short stacking energy: -16.092 Base-Backbone interact. energy: -0.006 local terms energy: -31.059651 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -4.258 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: 197 Temperature: 0.950000 Total energy: -45.972549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.972549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.972549 (E_RNA) where: Base-Base interactions energy: -16.157 where: short stacking energy: -16.157 Base-Backbone interact. energy: -0.023 local terms energy: -29.792105 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -4.150 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: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -37.719680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.719680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.719680 (E_RNA) where: Base-Base interactions energy: -11.873 where: short stacking energy: -11.200 Base-Backbone interact. energy: -0.124 local terms energy: -25.723355 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -5.593 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: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -40.111054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.111054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.111054 (E_RNA) where: Base-Base interactions energy: -10.022 where: short stacking energy: -10.022 Base-Backbone interact. energy: -0.006 local terms energy: -30.082833 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -40.225291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.225291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.225291 (E_RNA) where: Base-Base interactions energy: -7.784 where: short stacking energy: -7.784 Base-Backbone interact. energy: -0.092 local terms energy: -32.349269 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -38.028054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.028054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.028054 (E_RNA) where: Base-Base interactions energy: -11.378 where: short stacking energy: -11.378 Base-Backbone interact. energy: -0.055 local terms energy: -26.594446 where: bonds (distance) C4'-P energy: -4.476 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.996 flat angles P-C4'-P energy: -3.203 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: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -38.991496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.991496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.991496 (E_RNA) where: Base-Base interactions energy: -8.825 where: short stacking energy: -8.825 Base-Backbone interact. energy: -0.041 local terms energy: -30.125708 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -6.347 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -3.972 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: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -32.048347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.048347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.048347 (E_RNA) where: Base-Base interactions energy: -9.577 where: short stacking energy: -3.599 Base-Backbone interact. energy: -0.023 local terms energy: -22.447997 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: 1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -31.796654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.796654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.796654 (E_RNA) where: Base-Base interactions energy: -5.628 where: short stacking energy: -5.628 Base-Backbone interact. energy: -0.033 local terms energy: -26.136092 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -2.569 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: 10, replica: 6 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -32.833577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.833577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.833577 (E_RNA) where: Base-Base interactions energy: -5.635 where: short stacking energy: -5.635 Base-Backbone interact. energy: -0.179 local terms energy: -27.020034 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -6.263 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: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -43.429456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.429456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.429456 (E_RNA) where: Base-Base interactions energy: -12.797 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.001 local terms energy: -30.630862 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -5.365 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: 2, replica: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -45.186146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.186146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.186146 (E_RNA) where: Base-Base interactions energy: -18.102 where: short stacking energy: -16.726 Base-Backbone interact. energy: -0.036 local terms energy: -27.048120 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.879 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: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -37.841039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.841039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.841039 (E_RNA) where: Base-Base interactions energy: -10.876 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.022 local terms energy: -26.943078 where: bonds (distance) C4'-P energy: -7.134 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -3.746 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: 4, replica: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -37.715584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.715584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.715584 (E_RNA) where: Base-Base interactions energy: -12.374 where: short stacking energy: -12.374 Base-Backbone interact. energy: -0.059 local terms energy: -25.282644 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -2.196 tors. eta vs tors. theta energy: -4.089 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: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -35.661180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.661180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.661180 (E_RNA) where: Base-Base interactions energy: -6.499 where: short stacking energy: -6.499 Base-Backbone interact. energy: -0.011 local terms energy: -29.151747 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -4.931 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: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -36.968880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.968880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.968880 (E_RNA) where: Base-Base interactions energy: -7.321 where: short stacking energy: -7.321 Base-Backbone interact. energy: -0.001 local terms energy: -29.646873 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -4.291 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: 10 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -35.928530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.928530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.928530 (E_RNA) where: Base-Base interactions energy: -5.929 where: short stacking energy: -5.929 Base-Backbone interact. energy: -0.119 local terms energy: -29.880413 where: bonds (distance) C4'-P energy: -8.090 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -4.794 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: 8, replica: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -31.936728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.936728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.936728 (E_RNA) where: Base-Base interactions energy: -9.352 where: short stacking energy: -9.352 Base-Backbone interact. energy: -0.091 local terms energy: -22.493743 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -1.446 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: 9, replica: 6 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -32.249592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.249592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.249592 (E_RNA) where: Base-Base interactions energy: -4.695 where: short stacking energy: -4.503 Base-Backbone interact. energy: -0.045 local terms energy: -27.509953 where: bonds (distance) C4'-P energy: -7.734 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -4.308 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: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -30.132553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.132553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.132553 (E_RNA) where: Base-Base interactions energy: -2.937 where: short stacking energy: -2.937 Base-Backbone interact. energy: -1.253 local terms energy: -25.942869 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -7.129 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -46.879649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.879649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.879649 (E_RNA) where: Base-Base interactions energy: -15.288 where: short stacking energy: -15.288 Base-Backbone interact. energy: -0.005 local terms energy: -31.587166 where: bonds (distance) C4'-P energy: -7.515 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -4.827 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: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -48.434285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.434285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.434285 (E_RNA) where: Base-Base interactions energy: -13.427 where: short stacking energy: -13.427 Base-Backbone interact. energy: -0.000 local terms energy: -35.007489 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -8.987 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: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -36.740230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.740230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.740230 (E_RNA) where: Base-Base interactions energy: -7.914 where: short stacking energy: -7.914 Base-Backbone interact. energy: -0.022 local terms energy: -28.804778 where: bonds (distance) C4'-P energy: -6.675 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -6.265 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: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -36.438817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.438817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.438817 (E_RNA) where: Base-Base interactions energy: -7.044 where: short stacking energy: -7.044 Base-Backbone interact. energy: -0.218 local terms energy: -29.176559 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -6.542 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: 5, replica: 7 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -40.848094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.848094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.848094 (E_RNA) where: Base-Base interactions energy: -12.552 where: short stacking energy: -12.552 Base-Backbone interact. energy: -0.000 local terms energy: -28.296425 where: bonds (distance) C4'-P energy: -6.252 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -37.952559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.952559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.952559 (E_RNA) where: Base-Base interactions energy: -14.416 where: short stacking energy: -14.416 Base-Backbone interact. energy: 0.637 local terms energy: -24.174286 where: bonds (distance) C4'-P energy: -5.470 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -2.846 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: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -32.312345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.312345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.312345 (E_RNA) where: Base-Base interactions energy: -8.232 where: short stacking energy: -8.232 Base-Backbone interact. energy: -0.066 local terms energy: -24.014477 where: bonds (distance) C4'-P energy: -6.236 bonds (distance) P-C4' energy: -2.923 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -5.991 tors. eta vs tors. theta energy: -1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -31.050868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.050868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.050868 (E_RNA) where: Base-Base interactions energy: -3.979 where: short stacking energy: -3.979 Base-Backbone interact. energy: -0.048 local terms energy: -27.023650 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -4.602 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: 9, replica: 3 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -33.663375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.663375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.663375 (E_RNA) where: Base-Base interactions energy: -9.865 where: short stacking energy: -9.865 Base-Backbone interact. energy: -0.081 local terms energy: -23.717679 where: bonds (distance) C4'-P energy: -5.499 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -3.575 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: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -37.614233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.614233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.614233 (E_RNA) where: Base-Base interactions energy: -10.224 where: short stacking energy: -10.224 Base-Backbone interact. energy: -0.001 local terms energy: -27.389613 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -3.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -45.391031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.391031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.391031 (E_RNA) where: Base-Base interactions energy: -15.101 where: short stacking energy: -10.906 Base-Backbone interact. energy: -0.000 local terms energy: -30.289983 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -4.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -37.967069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.967069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.967069 (E_RNA) where: Base-Base interactions energy: -9.407 where: short stacking energy: -9.407 Base-Backbone interact. energy: -0.088 local terms energy: -28.471584 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -7.623 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -41.606038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.606038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.606038 (E_RNA) where: Base-Base interactions energy: -12.439 where: short stacking energy: -12.439 Base-Backbone interact. energy: -0.358 local terms energy: -28.809135 where: bonds (distance) C4'-P energy: -8.281 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -35.264737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.264737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.264737 (E_RNA) where: Base-Base interactions energy: -6.153 where: short stacking energy: -6.153 Base-Backbone interact. energy: -0.055 local terms energy: -29.056357 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -5.278 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: 5, replica: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -41.325444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.325444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.325444 (E_RNA) where: Base-Base interactions energy: -12.019 where: short stacking energy: -12.019 Base-Backbone interact. energy: -0.001 local terms energy: -29.306107 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -36.200206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.200206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.200206 (E_RNA) where: Base-Base interactions energy: -9.299 where: short stacking energy: -9.299 Base-Backbone interact. energy: -0.001 local terms energy: -26.900206 where: bonds (distance) C4'-P energy: -4.336 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -6.664 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: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -33.334430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.334430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.334430 (E_RNA) where: Base-Base interactions energy: -6.642 where: short stacking energy: -6.642 Base-Backbone interact. energy: -0.007 local terms energy: -26.685283 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -1.667 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: 8, replica: 5 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -33.230448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.230448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.230448 (E_RNA) where: Base-Base interactions energy: -7.289 where: short stacking energy: -7.289 Base-Backbone interact. energy: -0.097 local terms energy: -25.844432 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -4.583 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: 9, replica: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -31.896666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.896666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.896666 (E_RNA) where: Base-Base interactions energy: -5.312 where: short stacking energy: -5.312 Base-Backbone interact. energy: -0.145 local terms energy: -26.439719 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -4.990 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: 10, replica: 3 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -32.501276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.501276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.501276 (E_RNA) where: Base-Base interactions energy: -6.307 where: short stacking energy: -6.307 Base-Backbone interact. energy: -0.002 local terms energy: -26.192355 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -3.319 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: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -44.436015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.436015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.436015 (E_RNA) where: Base-Base interactions energy: -12.736 where: short stacking energy: -12.736 Base-Backbone interact. energy: -0.000 local terms energy: -31.699775 where: bonds (distance) C4'-P energy: -6.712 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -6.103 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: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -45.195445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.195445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.195445 (E_RNA) where: Base-Base interactions energy: -17.389 where: short stacking energy: -16.291 Base-Backbone interact. energy: -0.001 local terms energy: -27.805694 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -1.557 tors. eta vs tors. theta energy: -5.719 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: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -34.801363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.801363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.801363 (E_RNA) where: Base-Base interactions energy: -8.451 where: short stacking energy: -8.451 Base-Backbone interact. energy: -1.088 local terms energy: -25.262196 where: bonds (distance) C4'-P energy: -7.858 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -2.990 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: 4, replica: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -46.278418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.278418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.278418 (E_RNA) where: Base-Base interactions energy: -15.352 where: short stacking energy: -15.352 Base-Backbone interact. energy: -0.000 local terms energy: -30.925904 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -6.267 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -38.410948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.410948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.410948 (E_RNA) where: Base-Base interactions energy: -12.721 where: short stacking energy: -8.956 Base-Backbone interact. energy: -0.094 local terms energy: -25.595469 where: bonds (distance) C4'-P energy: -3.503 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -34.953170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.953170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.953170 (E_RNA) where: Base-Base interactions energy: -6.839 where: short stacking energy: -6.839 Base-Backbone interact. energy: -0.511 local terms energy: -27.602835 where: bonds (distance) C4'-P energy: -6.988 bonds (distance) P-C4' energy: -5.066 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -38.365687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.365687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.365687 (E_RNA) where: Base-Base interactions energy: -11.324 where: short stacking energy: -11.324 Base-Backbone interact. energy: -0.042 local terms energy: -26.999934 where: bonds (distance) C4'-P energy: -7.138 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -3.841 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: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -36.716816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.716816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.716816 (E_RNA) where: Base-Base interactions energy: -9.384 where: short stacking energy: -9.384 Base-Backbone interact. energy: -0.085 local terms energy: -27.247878 where: bonds (distance) C4'-P energy: -6.997 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -4.387 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: 9, replica: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -30.701108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.701108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.701108 (E_RNA) where: Base-Base interactions energy: -5.175 where: short stacking energy: -5.175 Base-Backbone interact. energy: -0.002 local terms energy: -25.524414 where: bonds (distance) C4'-P energy: -6.819 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -3.419 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: 10, replica: 3 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -31.878021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.878021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.878021 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.894 Base-Backbone interact. energy: -0.019 local terms energy: -24.964465 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -7.068 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -4.917 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: 1, replica: 2 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -43.599539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.599539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.599539 (E_RNA) where: Base-Base interactions energy: -12.264 where: short stacking energy: -12.264 Base-Backbone interact. energy: -0.001 local terms energy: -31.335061 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -6.049 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: 2, replica: 8 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -44.139431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.139431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.139431 (E_RNA) where: Base-Base interactions energy: -15.854 where: short stacking energy: -15.854 Base-Backbone interact. energy: -0.093 local terms energy: -28.193051 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -40.023843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.023843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.023843 (E_RNA) where: Base-Base interactions energy: -12.377 where: short stacking energy: -12.377 Base-Backbone interact. energy: -0.033 local terms energy: -27.613281 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -2.662 flat angles P-C4'-P energy: -5.219 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: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -40.277673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.277673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.277673 (E_RNA) where: Base-Base interactions energy: -11.472 where: short stacking energy: -11.472 Base-Backbone interact. energy: -0.005 local terms energy: -28.800590 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -7.132 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: -4.716 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: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -39.427716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.427716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.427716 (E_RNA) where: Base-Base interactions energy: -11.296 where: short stacking energy: -11.296 Base-Backbone interact. energy: -0.033 local terms energy: -28.098306 where: bonds (distance) C4'-P energy: -4.903 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -4.324 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: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -31.795339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.795339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.795339 (E_RNA) where: Base-Base interactions energy: -6.807 where: short stacking energy: -6.807 Base-Backbone interact. energy: -0.082 local terms energy: -24.906670 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -6.042 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: 7, replica: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -38.895758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.895758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.895758 (E_RNA) where: Base-Base interactions energy: -12.689 where: short stacking energy: -12.689 Base-Backbone interact. energy: -0.000 local terms energy: -26.207035 where: bonds (distance) C4'-P energy: -3.292 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.715 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -5.649 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: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -35.692780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.692780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.692780 (E_RNA) where: Base-Base interactions energy: -9.607 where: short stacking energy: -6.707 Base-Backbone interact. energy: 0.030 local terms energy: -26.115684 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -1.347 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -33.646439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.646439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.646439 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: 0.346 local terms energy: -24.484823 where: bonds (distance) C4'-P energy: -6.243 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -2.682 tors. eta vs tors. theta energy: -1.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -28.324418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.324418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.324418 (E_RNA) where: Base-Base interactions energy: -9.511 where: short stacking energy: -4.326 Base-Backbone interact. energy: -0.121 local terms energy: -18.692680 where: bonds (distance) C4'-P energy: -4.359 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -5.356 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: 1, replica: 2 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -44.563348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.563348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.563348 (E_RNA) where: Base-Base interactions energy: -13.196 where: short stacking energy: -13.196 Base-Backbone interact. energy: -0.069 local terms energy: -31.298867 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -5.565 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: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -37.221913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.221913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.221913 (E_RNA) where: Base-Base interactions energy: -9.856 where: short stacking energy: -10.730 Base-Backbone interact. energy: -0.083 local terms energy: -27.282273 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -36.162092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.162092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.162092 (E_RNA) where: Base-Base interactions energy: -8.836 where: short stacking energy: -8.836 Base-Backbone interact. energy: -0.811 local terms energy: -26.514591 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.049 flat angles P-C4'-P energy: -2.212 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: 6 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -42.547643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.547643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.547643 (E_RNA) where: Base-Base interactions energy: -14.582 where: short stacking energy: -14.582 Base-Backbone interact. energy: -0.004 local terms energy: -27.962363 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -33.494767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.494767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.494767 (E_RNA) where: Base-Base interactions energy: -7.149 where: short stacking energy: -7.149 Base-Backbone interact. energy: -0.055 local terms energy: -26.291131 where: bonds (distance) C4'-P energy: -5.781 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -35.250713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.250713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.250713 (E_RNA) where: Base-Base interactions energy: -8.923 where: short stacking energy: -8.923 Base-Backbone interact. energy: -0.000 local terms energy: -26.327902 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -5.807 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: 7, replica: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -32.448468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.448468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.448468 (E_RNA) where: Base-Base interactions energy: -3.801 where: short stacking energy: -3.801 Base-Backbone interact. energy: -0.127 local terms energy: -28.520230 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -34.727382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.727382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.727382 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.000 local terms energy: -27.601362 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -32.509280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.509280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.509280 (E_RNA) where: Base-Base interactions energy: -3.608 where: short stacking energy: -3.608 Base-Backbone interact. energy: -0.018 local terms energy: -28.883051 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -3.804 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: 10, replica: 5 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -32.676952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.676952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.676952 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -7.588 Base-Backbone interact. energy: -0.106 local terms energy: -24.982726 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -5.037 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: 1, replica: 2 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -46.609631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.609631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.609631 (E_RNA) where: Base-Base interactions energy: -16.151 where: short stacking energy: -16.151 Base-Backbone interact. energy: -0.000 local terms energy: -30.458240 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -7.675 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -5.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -46.489985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.489985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.489985 (E_RNA) where: Base-Base interactions energy: -15.830 where: short stacking energy: -15.830 Base-Backbone interact. energy: -0.080 local terms energy: -30.580315 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -4.777 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: 3, replica: 6 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -35.303257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.303257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.303257 (E_RNA) where: Base-Base interactions energy: -10.342 where: short stacking energy: -10.342 Base-Backbone interact. energy: -0.013 local terms energy: -24.948468 where: bonds (distance) C4'-P energy: -6.634 bonds (distance) P-C4' energy: -5.969 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -39.211768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.211768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.211768 (E_RNA) where: Base-Base interactions energy: -9.985 where: short stacking energy: -9.149 Base-Backbone interact. energy: -0.006 local terms energy: -29.221077 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -36.517762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.517762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.517762 (E_RNA) where: Base-Base interactions energy: -10.495 where: short stacking energy: -10.495 Base-Backbone interact. energy: -0.063 local terms energy: -25.960286 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -35.697916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.697916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.697916 (E_RNA) where: Base-Base interactions energy: -11.510 where: short stacking energy: -10.297 Base-Backbone interact. energy: -0.091 local terms energy: -24.096615 where: bonds (distance) C4'-P energy: -6.393 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -3.651 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: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -38.973407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.973407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.973407 (E_RNA) where: Base-Base interactions energy: -14.178 where: short stacking energy: -8.494 Base-Backbone interact. energy: -0.003 local terms energy: -24.792691 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -6.798 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -1.461 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: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -32.435192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.435192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.435192 (E_RNA) where: Base-Base interactions energy: -6.933 where: short stacking energy: -7.089 Base-Backbone interact. energy: -0.010 local terms energy: -25.492300 where: bonds (distance) C4'-P energy: -5.888 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: 0.723 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: 9, replica: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -31.635028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.635028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.635028 (E_RNA) where: Base-Base interactions energy: -6.027 where: short stacking energy: -6.027 Base-Backbone interact. energy: -0.014 local terms energy: -25.594452 where: bonds (distance) C4'-P energy: -3.147 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -5.328 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: 10, replica: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -32.111198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.111198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.111198 (E_RNA) where: Base-Base interactions energy: -7.858 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.183 local terms energy: -24.069978 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -1.629 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: 1, replica: 2 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -49.779896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.779896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.779896 (E_RNA) where: Base-Base interactions energy: -17.788 where: short stacking energy: -17.788 Base-Backbone interact. energy: -0.004 local terms energy: -31.988171 where: bonds (distance) C4'-P energy: -5.624 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -5.882 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: 2, replica: 6 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -52.224371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.224371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.224371 (E_RNA) where: Base-Base interactions energy: -17.462 where: short stacking energy: -17.462 Base-Backbone interact. energy: -0.067 local terms energy: -34.695329 where: bonds (distance) C4'-P energy: -6.931 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -6.774 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: 205 Temperature: 1.000000 Total energy: -45.716593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.716593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.716593 (E_RNA) where: Base-Base interactions energy: -14.828 where: short stacking energy: -14.828 Base-Backbone interact. energy: -0.025 local terms energy: -30.863921 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -5.506 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: 4, replica: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -36.255817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.255817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.255817 (E_RNA) where: Base-Base interactions energy: -10.598 where: short stacking energy: -10.598 Base-Backbone interact. energy: -0.019 local terms energy: -25.638215 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -4.351 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: 5, replica: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -39.034641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.034641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.034641 (E_RNA) where: Base-Base interactions energy: -10.360 where: short stacking energy: -10.360 Base-Backbone interact. energy: -0.219 local terms energy: -28.455551 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -35.846066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.846066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.846066 (E_RNA) where: Base-Base interactions energy: -9.352 where: short stacking energy: -9.352 Base-Backbone interact. energy: -0.001 local terms energy: -26.492733 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -5.550 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: 7, replica: 1 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -33.565466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.565466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.565466 (E_RNA) where: Base-Base interactions energy: -6.558 where: short stacking energy: -6.558 Base-Backbone interact. energy: -0.031 local terms energy: -26.976434 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -5.076 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: 8, replica: 5 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -35.039741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.039741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.039741 (E_RNA) where: Base-Base interactions energy: -8.957 where: short stacking energy: -8.957 Base-Backbone interact. energy: -0.108 local terms energy: -25.975024 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -2.876 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -30.121421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.121421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.121421 (E_RNA) where: Base-Base interactions energy: -6.583 where: short stacking energy: -6.583 Base-Backbone interact. energy: -0.004 local terms energy: -23.534614 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -4.130 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: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -31.676068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676068 (E_RNA) where: Base-Base interactions energy: -7.407 where: short stacking energy: -7.407 Base-Backbone interact. energy: -0.001 local terms energy: -24.267402 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -4.505 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: 0.853 tors. eta vs tors. theta energy: -7.114 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: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -43.816688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.816688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.816688 (E_RNA) where: Base-Base interactions energy: -14.229 where: short stacking energy: -14.229 Base-Backbone interact. energy: -0.000 local terms energy: -29.587903 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -4.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -45.970692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.970692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.970692 (E_RNA) where: Base-Base interactions energy: -15.694 where: short stacking energy: -15.694 Base-Backbone interact. energy: -0.001 local terms energy: -30.275945 where: bonds (distance) C4'-P energy: -3.631 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -4.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -34.849997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.849997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.849997 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -5.656 Base-Backbone interact. energy: -0.006 local terms energy: -29.187313 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -5.540 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: 4, replica: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -37.020584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.020584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.020584 (E_RNA) where: Base-Base interactions energy: -9.070 where: short stacking energy: -9.070 Base-Backbone interact. energy: -0.008 local terms energy: -27.942277 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -2.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -39.164600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.164600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.164600 (E_RNA) where: Base-Base interactions energy: -11.900 where: short stacking energy: -11.900 Base-Backbone interact. energy: -0.044 local terms energy: -27.220752 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -6.403 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -4.488 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: 6, replica: 8 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -39.316200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.316200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.316200 (E_RNA) where: Base-Base interactions energy: -12.772 where: short stacking energy: -13.337 Base-Backbone interact. energy: -0.048 local terms energy: -26.496151 where: bonds (distance) C4'-P energy: -1.881 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -34.443733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.443733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.443733 (E_RNA) where: Base-Base interactions energy: -9.256 where: short stacking energy: -9.040 Base-Backbone interact. energy: -0.066 local terms energy: -25.122398 where: bonds (distance) C4'-P energy: -6.339 bonds (distance) P-C4' energy: -7.068 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -0.622 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: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -35.491524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.491524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.491524 (E_RNA) where: Base-Base interactions energy: -8.179 where: short stacking energy: -8.179 Base-Backbone interact. energy: -0.169 local terms energy: -27.142912 where: bonds (distance) C4'-P energy: -6.236 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -8.095 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -33.186483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.186483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.186483 (E_RNA) where: Base-Base interactions energy: -5.410 where: short stacking energy: -5.410 Base-Backbone interact. energy: -0.010 local terms energy: -27.766127 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -4.644 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -4.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -32.585340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.585340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.585340 (E_RNA) where: Base-Base interactions energy: -4.780 where: short stacking energy: -5.079 Base-Backbone interact. energy: -0.634 local terms energy: -27.170997 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -5.715 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -4.639 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: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -41.707936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.707936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.707936 (E_RNA) where: Base-Base interactions energy: -10.835 where: short stacking energy: -10.835 Base-Backbone interact. energy: -0.001 local terms energy: -30.871982 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -5.224 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: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -42.348591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.348591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.348591 (E_RNA) where: Base-Base interactions energy: -14.934 where: short stacking energy: -14.934 Base-Backbone interact. energy: -0.004 local terms energy: -27.410362 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -4.478 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: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -39.477991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.477991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.477991 (E_RNA) where: Base-Base interactions energy: -9.541 where: short stacking energy: -9.541 Base-Backbone interact. energy: -0.000 local terms energy: -29.937163 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -4.627 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: 4, replica: 4 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -35.069848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.069848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.069848 (E_RNA) where: Base-Base interactions energy: -9.945 where: short stacking energy: -9.945 Base-Backbone interact. energy: -0.009 local terms energy: -25.115798 where: bonds (distance) C4'-P energy: -7.113 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -4.421 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: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -36.530292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.530292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.530292 (E_RNA) where: Base-Base interactions energy: -11.891 where: short stacking energy: -11.891 Base-Backbone interact. energy: -0.008 local terms energy: -24.631143 where: bonds (distance) C4'-P energy: -5.404 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -4.459 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: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -36.516143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.516143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.516143 (E_RNA) where: Base-Base interactions energy: -6.599 where: short stacking energy: -6.599 Base-Backbone interact. energy: -0.027 local terms energy: -29.890120 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -5.194 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: 7, replica: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -33.442110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.442110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.442110 (E_RNA) where: Base-Base interactions energy: -6.312 where: short stacking energy: -6.312 Base-Backbone interact. energy: -0.001 local terms energy: -27.129047 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -36.910034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.910034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.910034 (E_RNA) where: Base-Base interactions energy: -7.456 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.076 local terms energy: -29.378140 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -36.381900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.381900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.381900 (E_RNA) where: Base-Base interactions energy: -9.786 where: short stacking energy: -8.356 Base-Backbone interact. energy: -0.011 local terms energy: -26.584524 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -1.968 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: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -33.398826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.398826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.398826 (E_RNA) where: Base-Base interactions energy: -10.632 where: short stacking energy: -9.657 Base-Backbone interact. energy: -0.009 local terms energy: -22.757374 where: bonds (distance) C4'-P energy: -5.895 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -40.438881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.438881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.438881 (E_RNA) where: Base-Base interactions energy: -12.592 where: short stacking energy: -12.592 Base-Backbone interact. energy: -0.012 local terms energy: -27.834489 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -3.759 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: 2, replica: 6 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -40.153723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.153723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.153723 (E_RNA) where: Base-Base interactions energy: -12.364 where: short stacking energy: -12.364 Base-Backbone interact. energy: -0.195 local terms energy: -27.594367 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -41.057144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.057144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.057144 (E_RNA) where: Base-Base interactions energy: -13.734 where: short stacking energy: -13.734 Base-Backbone interact. energy: -0.002 local terms energy: -27.320619 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -6.774 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -5.383 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: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -41.352713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.352713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.352713 (E_RNA) where: Base-Base interactions energy: -11.537 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.069 local terms energy: -29.745927 where: bonds (distance) C4'-P energy: -7.051 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -39.198822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.198822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.198822 (E_RNA) where: Base-Base interactions energy: -11.443 where: short stacking energy: -11.443 Base-Backbone interact. energy: -0.000 local terms energy: -27.755526 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -3.308 flat angles P-C4'-P energy: -3.926 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: 6, replica: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -36.444870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.444870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.444870 (E_RNA) where: Base-Base interactions energy: -5.271 where: short stacking energy: -5.271 Base-Backbone interact. energy: -0.000 local terms energy: -31.173409 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -32.830658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.830658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.830658 (E_RNA) where: Base-Base interactions energy: -8.569 where: short stacking energy: -8.569 Base-Backbone interact. energy: -0.006 local terms energy: -24.255654 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: 0.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -33.923797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.923797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.923797 (E_RNA) where: Base-Base interactions energy: -10.879 where: short stacking energy: -10.668 Base-Backbone interact. energy: -0.107 local terms energy: -22.937668 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -5.531 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -0.923 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: 208 Temperature: 1.300000 Total energy: -35.295935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.295935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.295935 (E_RNA) where: Base-Base interactions energy: -8.006 where: short stacking energy: -6.814 Base-Backbone interact. energy: -0.012 local terms energy: -27.278159 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -4.379 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: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -36.197308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.197308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.197308 (E_RNA) where: Base-Base interactions energy: -8.567 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.002 local terms energy: -27.628258 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -4.387 flat angles P-C4'-P energy: -5.045 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: 1, replica: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -46.238796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.238796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.238796 (E_RNA) where: Base-Base interactions energy: -16.104 where: short stacking energy: -13.766 Base-Backbone interact. energy: -0.197 local terms energy: -29.937818 where: bonds (distance) C4'-P energy: -6.128 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -40.595807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.595807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.595807 (E_RNA) where: Base-Base interactions energy: -14.800 where: short stacking energy: -14.800 Base-Backbone interact. energy: -0.092 local terms energy: -25.703831 where: bonds (distance) C4'-P energy: -5.382 bonds (distance) P-C4' energy: -6.862 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -3.575 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: 3, replica: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -40.094307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.094307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.094307 (E_RNA) where: Base-Base interactions energy: -10.224 where: short stacking energy: -10.224 Base-Backbone interact. energy: -0.002 local terms energy: -29.868527 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -6.589 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: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -40.823121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.823121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.823121 (E_RNA) where: Base-Base interactions energy: -12.564 where: short stacking energy: -12.564 Base-Backbone interact. energy: -0.001 local terms energy: -28.257445 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.309 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: 5, replica: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -37.806338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.806338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.806338 (E_RNA) where: Base-Base interactions energy: -9.055 where: short stacking energy: -9.055 Base-Backbone interact. energy: -0.007 local terms energy: -28.744083 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -35.196502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.196502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.196502 (E_RNA) where: Base-Base interactions energy: -8.184 where: short stacking energy: -8.184 Base-Backbone interact. energy: -0.001 local terms energy: -27.012248 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -39.008398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.008398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.008398 (E_RNA) where: Base-Base interactions energy: -9.636 where: short stacking energy: -9.636 Base-Backbone interact. energy: -0.012 local terms energy: -29.360406 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -5.452 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: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -39.046175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.046175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.046175 (E_RNA) where: Base-Base interactions energy: -9.815 where: short stacking energy: -9.815 Base-Backbone interact. energy: -0.085 local terms energy: -29.146473 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -35.378867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.378867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.378867 (E_RNA) where: Base-Base interactions energy: -8.166 where: short stacking energy: -8.366 Base-Backbone interact. energy: -0.074 local terms energy: -27.138639 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.997 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: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -29.621987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.621987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.621987 (E_RNA) where: Base-Base interactions energy: -6.452 where: short stacking energy: -6.452 Base-Backbone interact. energy: -0.087 local terms energy: -23.082767 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -52.861907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.861907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.861907 (E_RNA) where: Base-Base interactions energy: -21.419 where: short stacking energy: -17.353 Base-Backbone interact. energy: -0.007 local terms energy: -31.436596 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.221 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -42.530327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.530327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.530327 (E_RNA) where: Base-Base interactions energy: -11.735 where: short stacking energy: -11.735 Base-Backbone interact. energy: -0.028 local terms energy: -30.767758 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -39.836539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.836539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.836539 (E_RNA) where: Base-Base interactions energy: -11.098 where: short stacking energy: -11.098 Base-Backbone interact. energy: -0.011 local terms energy: -28.727177 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -8.587 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -47.574760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.574760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.574760 (E_RNA) where: Base-Base interactions energy: -14.212 where: short stacking energy: -14.212 Base-Backbone interact. energy: -0.000 local terms energy: -33.362570 where: bonds (distance) C4'-P energy: -5.400 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -7.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -36.452574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.452574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.452574 (E_RNA) where: Base-Base interactions energy: -9.914 where: short stacking energy: -9.914 Base-Backbone interact. energy: -0.005 local terms energy: -26.533728 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -39.119276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.119276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.119276 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -12.023 Base-Backbone interact. energy: 0.082 local terms energy: -27.178670 where: bonds (distance) C4'-P energy: -6.535 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -1.768 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -38.549700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.549700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.549700 (E_RNA) where: Base-Base interactions energy: -7.592 where: short stacking energy: -7.489 Base-Backbone interact. energy: -0.081 local terms energy: -30.876590 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -32.866831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.866831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.866831 (E_RNA) where: Base-Base interactions energy: -9.499 where: short stacking energy: -9.499 Base-Backbone interact. energy: -0.071 local terms energy: -23.296408 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -3.407 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: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -30.822505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.822505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.822505 (E_RNA) where: Base-Base interactions energy: -4.832 where: short stacking energy: -4.832 Base-Backbone interact. energy: -0.132 local terms energy: -25.858039 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -31.247407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.247407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.247407 (E_RNA) where: Base-Base interactions energy: -7.066 where: short stacking energy: -7.066 Base-Backbone interact. energy: -0.094 local terms energy: -24.087748 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: 1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -43.666890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.666890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.666890 (E_RNA) where: Base-Base interactions energy: -13.340 where: short stacking energy: -13.340 Base-Backbone interact. energy: -0.002 local terms energy: -30.325318 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -42.756101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.756101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.756101 (E_RNA) where: Base-Base interactions energy: -12.277 where: short stacking energy: -12.277 Base-Backbone interact. energy: -0.095 local terms energy: -30.384147 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -38.580526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.580526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.580526 (E_RNA) where: Base-Base interactions energy: -15.052 where: short stacking energy: -15.052 Base-Backbone interact. energy: -0.000 local terms energy: -23.528047 where: bonds (distance) C4'-P energy: -5.420 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.251 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: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -40.268839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.268839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.268839 (E_RNA) where: Base-Base interactions energy: -12.547 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.047 local terms energy: -27.675021 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -6.085 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -40.680907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.680907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.680907 (E_RNA) where: Base-Base interactions energy: -14.829 where: short stacking energy: -14.829 Base-Backbone interact. energy: -0.004 local terms energy: -25.848595 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -3.004 flat angles P-C4'-P energy: -5.229 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: 6, replica: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -33.291925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.291925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.291925 (E_RNA) where: Base-Base interactions energy: -9.189 where: short stacking energy: -9.189 Base-Backbone interact. energy: 0.084 local terms energy: -24.187590 where: bonds (distance) C4'-P energy: -3.349 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -35.027752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.027752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.027752 (E_RNA) where: Base-Base interactions energy: -7.202 where: short stacking energy: -7.202 Base-Backbone interact. energy: -0.051 local terms energy: -27.774738 where: bonds (distance) C4'-P energy: -7.586 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -6.522 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: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -33.994523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.994523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.994523 (E_RNA) where: Base-Base interactions energy: -10.124 where: short stacking energy: -10.124 Base-Backbone interact. energy: -0.147 local terms energy: -23.722978 where: bonds (distance) C4'-P energy: -4.128 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -4.713 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: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -34.629825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.629825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.629825 (E_RNA) where: Base-Base interactions energy: -9.978 where: short stacking energy: -9.978 Base-Backbone interact. energy: -0.034 local terms energy: -24.618529 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -4.712 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: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -32.654271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.654271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.654271 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.127 local terms energy: -21.922598 where: bonds (distance) C4'-P energy: -3.892 bonds (distance) P-C4' energy: -4.109 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -42.827298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.827298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.827298 (E_RNA) where: Base-Base interactions energy: -10.104 where: short stacking energy: -10.104 Base-Backbone interact. energy: -0.291 local terms energy: -32.432225 where: bonds (distance) C4'-P energy: -7.138 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -7.914 flat angles P-C4'-P energy: -7.165 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: 2, replica: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -43.983768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.983768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.983768 (E_RNA) where: Base-Base interactions energy: -13.648 where: short stacking energy: -13.648 Base-Backbone interact. energy: -0.000 local terms energy: -30.336188 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -36.079133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.079133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.079133 (E_RNA) where: Base-Base interactions energy: -9.761 where: short stacking energy: -9.761 Base-Backbone interact. energy: -0.057 local terms energy: -26.260461 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: 1.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -37.894972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.894972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.894972 (E_RNA) where: Base-Base interactions energy: -11.111 where: short stacking energy: -11.111 Base-Backbone interact. energy: -0.072 local terms energy: -26.711716 where: bonds (distance) C4'-P energy: -5.855 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -5.040 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: 5, replica: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -31.882718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.882718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.882718 (E_RNA) where: Base-Base interactions energy: -9.361 where: short stacking energy: -5.862 Base-Backbone interact. energy: -0.564 local terms energy: -21.957631 where: bonds (distance) C4'-P energy: -5.846 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: 3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -35.073985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.073985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.073985 (E_RNA) where: Base-Base interactions energy: -10.004 where: short stacking energy: -10.004 Base-Backbone interact. energy: -0.154 local terms energy: -24.915680 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -34.764091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.764091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.764091 (E_RNA) where: Base-Base interactions energy: -7.993 where: short stacking energy: -7.993 Base-Backbone interact. energy: -0.001 local terms energy: -26.770908 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.231 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -1.806 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: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -30.506898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.506898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.506898 (E_RNA) where: Base-Base interactions energy: -6.471 where: short stacking energy: -6.471 Base-Backbone interact. energy: -0.009 local terms energy: -24.026334 where: bonds (distance) C4'-P energy: -5.710 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -4.296 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: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -28.514856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.514856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.514856 (E_RNA) where: Base-Base interactions energy: -2.347 where: short stacking energy: -2.347 Base-Backbone interact. energy: -0.099 local terms energy: -26.068834 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -5.335 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: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -28.828115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.828115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.828115 (E_RNA) where: Base-Base interactions energy: -4.046 where: short stacking energy: -4.046 Base-Backbone interact. energy: -0.093 local terms energy: -24.688515 where: bonds (distance) C4'-P energy: -5.967 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -6.174 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: 1, replica: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -49.613209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.613209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.613209 (E_RNA) where: Base-Base interactions energy: -17.128 where: short stacking energy: -17.128 Base-Backbone interact. energy: -0.072 local terms energy: -32.413044 where: bonds (distance) C4'-P energy: -5.151 bonds (distance) P-C4' energy: -8.144 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -7.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -45.108934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.108934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.108934 (E_RNA) where: Base-Base interactions energy: -14.885 where: short stacking energy: -14.885 Base-Backbone interact. energy: -0.638 local terms energy: -29.586226 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -38.767288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.767288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.767288 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.805 Base-Backbone interact. energy: -0.523 local terms energy: -30.438721 where: bonds (distance) C4'-P energy: -7.106 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -6.332 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: 4, replica: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -38.269706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.269706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.269706 (E_RNA) where: Base-Base interactions energy: -10.846 where: short stacking energy: -10.846 Base-Backbone interact. energy: -0.000 local terms energy: -27.423786 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -6.135 tors. eta vs tors. theta energy: -1.953 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: 10 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -38.576681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.576681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.576681 (E_RNA) where: Base-Base interactions energy: -12.144 where: short stacking energy: -12.144 Base-Backbone interact. energy: -0.031 local terms energy: -26.401469 where: bonds (distance) C4'-P energy: -6.815 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -39.442281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.442281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.442281 (E_RNA) where: Base-Base interactions energy: -9.824 where: short stacking energy: -9.824 Base-Backbone interact. energy: -0.065 local terms energy: -29.552694 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -3.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -35.764106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.764106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.764106 (E_RNA) where: Base-Base interactions energy: -10.410 where: short stacking energy: -10.410 Base-Backbone interact. energy: -0.017 local terms energy: -25.336756 where: bonds (distance) C4'-P energy: -6.281 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -38.335537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.335537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.335537 (E_RNA) where: Base-Base interactions energy: -11.548 where: short stacking energy: -11.548 Base-Backbone interact. energy: -0.000 local terms energy: -26.787100 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: -2.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -34.217488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.217488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.217488 (E_RNA) where: Base-Base interactions energy: -13.576 where: short stacking energy: -13.107 Base-Backbone interact. energy: -0.001 local terms energy: -20.640623 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -0.216 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: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -33.343326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.343326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.343326 (E_RNA) where: Base-Base interactions energy: -12.096 where: short stacking energy: -12.096 Base-Backbone interact. energy: -0.000 local terms energy: -21.247414 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -3.949 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -2.442 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: 1, replica: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -37.422591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.422591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.422591 (E_RNA) where: Base-Base interactions energy: -8.055 where: short stacking energy: -8.055 Base-Backbone interact. energy: -0.024 local terms energy: -29.343193 where: bonds (distance) C4'-P energy: -6.290 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -5.526 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: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -46.170579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.170579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.170579 (E_RNA) where: Base-Base interactions energy: -15.231 where: short stacking energy: -15.231 Base-Backbone interact. energy: -0.036 local terms energy: -30.903697 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -6.543 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -6.580 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -34.435083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.435083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.435083 (E_RNA) where: Base-Base interactions energy: -10.266 where: short stacking energy: -10.266 Base-Backbone interact. energy: -0.004 local terms energy: -24.164549 where: bonds (distance) C4'-P energy: -4.274 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: 0.019 tors. eta vs tors. theta energy: -4.842 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: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -39.884232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.884232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.884232 (E_RNA) where: Base-Base interactions energy: -10.625 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.043 local terms energy: -29.216209 where: bonds (distance) C4'-P energy: -6.836 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -36.811348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.811348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.811348 (E_RNA) where: Base-Base interactions energy: -8.759 where: short stacking energy: -8.759 Base-Backbone interact. energy: -1.054 local terms energy: -26.999308 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.945 flat angles C4'-P-C4' energy: -2.561 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -35.753424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.753424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.753424 (E_RNA) where: Base-Base interactions energy: -8.289 where: short stacking energy: -8.289 Base-Backbone interact. energy: -0.050 local terms energy: -27.414383 where: bonds (distance) C4'-P energy: -5.810 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -40.057302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.057302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.057302 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.000 local terms energy: -28.370421 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -4.492 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: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -30.371953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.371953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.371953 (E_RNA) where: Base-Base interactions energy: -9.589 where: short stacking energy: -9.589 Base-Backbone interact. energy: -0.108 local terms energy: -20.675130 where: bonds (distance) C4'-P energy: -4.266 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -2.950 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: 9, replica: 4 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -37.293355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.293355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.293355 (E_RNA) where: Base-Base interactions energy: -5.654 where: short stacking energy: -5.654 Base-Backbone interact. energy: -0.046 local terms energy: -31.593021 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -4.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -36.976096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.976096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.976096 (E_RNA) where: Base-Base interactions energy: -11.455 where: short stacking energy: -11.455 Base-Backbone interact. energy: -0.001 local terms energy: -25.520728 where: bonds (distance) C4'-P energy: -5.639 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -4.175 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: 1, replica: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -46.682073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.682073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.682073 (E_RNA) where: Base-Base interactions energy: -15.532 where: short stacking energy: -15.532 Base-Backbone interact. energy: -0.041 local terms energy: -31.109514 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -4.141 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: 2, replica: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -44.497262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.497262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.497262 (E_RNA) where: Base-Base interactions energy: -14.542 where: short stacking energy: -14.542 Base-Backbone interact. energy: -0.005 local terms energy: -29.950858 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -5.142 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: 3, replica: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -48.321238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.321238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.321238 (E_RNA) where: Base-Base interactions energy: -18.407 where: short stacking energy: -11.094 Base-Backbone interact. energy: -0.097 local terms energy: -29.817480 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -44.528703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.528703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.528703 (E_RNA) where: Base-Base interactions energy: -17.964 where: short stacking energy: -17.964 Base-Backbone interact. energy: -0.061 local terms energy: -26.504321 where: bonds (distance) C4'-P energy: -4.097 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -3.286 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: 215 Temperature: 1.100000 Total energy: -35.323774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.323774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.323774 (E_RNA) where: Base-Base interactions energy: -9.404 where: short stacking energy: -5.877 Base-Backbone interact. energy: 0.104 local terms energy: -26.022924 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -6.281 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: 6, replica: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -42.456836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.456836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.456836 (E_RNA) where: Base-Base interactions energy: -9.722 where: short stacking energy: -9.722 Base-Backbone interact. energy: -0.016 local terms energy: -32.719371 where: bonds (distance) C4'-P energy: -7.610 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -5.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -34.903885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.903885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.903885 (E_RNA) where: Base-Base interactions energy: -8.798 where: short stacking energy: -8.798 Base-Backbone interact. energy: 0.375 local terms energy: -26.480808 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -1.552 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -33.100801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.100801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.100801 (E_RNA) where: Base-Base interactions energy: -5.267 where: short stacking energy: -5.267 Base-Backbone interact. energy: -0.017 local terms energy: -27.816265 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -30.232995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.232995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.232995 (E_RNA) where: Base-Base interactions energy: -5.215 where: short stacking energy: -3.216 Base-Backbone interact. energy: -0.030 local terms energy: -24.988634 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -6.245 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -5.270 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: 215 Temperature: 1.350000 Total energy: -31.692619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.692619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.692619 (E_RNA) where: Base-Base interactions energy: -8.882 where: short stacking energy: -8.882 Base-Backbone interact. energy: -0.014 local terms energy: -22.796388 where: bonds (distance) C4'-P energy: -3.181 bonds (distance) P-C4' energy: -6.079 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -4.858 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: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -41.474584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.474584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.474584 (E_RNA) where: Base-Base interactions energy: -14.316 where: short stacking energy: -14.316 Base-Backbone interact. energy: -0.018 local terms energy: -27.140284 where: bonds (distance) C4'-P energy: -5.105 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -3.515 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: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -47.827353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.827353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.827353 (E_RNA) where: Base-Base interactions energy: -16.319 where: short stacking energy: -16.319 Base-Backbone interact. energy: -0.001 local terms energy: -31.507534 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -5.465 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: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -37.814518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.814518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.814518 (E_RNA) where: Base-Base interactions energy: -9.155 where: short stacking energy: -10.053 Base-Backbone interact. energy: -0.007 local terms energy: -28.652340 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -5.615 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -36.083236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.083236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.083236 (E_RNA) where: Base-Base interactions energy: -11.602 where: short stacking energy: -11.602 Base-Backbone interact. energy: -0.002 local terms energy: -24.478900 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -2.700 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -36.226918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.226918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.226918 (E_RNA) where: Base-Base interactions energy: -12.423 where: short stacking energy: -12.423 Base-Backbone interact. energy: -0.044 local terms energy: -23.759991 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -5.359 flat angles C4'-P-C4' energy: -2.748 flat angles P-C4'-P energy: -3.801 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: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -32.582141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.582141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.582141 (E_RNA) where: Base-Base interactions energy: -6.641 where: short stacking energy: -6.641 Base-Backbone interact. energy: -0.045 local terms energy: -25.895314 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -5.133 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: 7, replica: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -39.539601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.539601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.539601 (E_RNA) where: Base-Base interactions energy: -8.268 where: short stacking energy: -8.268 Base-Backbone interact. energy: -0.059 local terms energy: -31.212883 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -3.649 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: 8, replica: 10 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -32.506195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.506195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.506195 (E_RNA) where: Base-Base interactions energy: -7.390 where: short stacking energy: -7.990 Base-Backbone interact. energy: -1.284 local terms energy: -23.831872 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -4.616 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: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -35.972030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.972030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.972030 (E_RNA) where: Base-Base interactions energy: -10.032 where: short stacking energy: -5.384 Base-Backbone interact. energy: -0.116 local terms energy: -25.824588 where: bonds (distance) C4'-P energy: -6.758 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -2.242 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: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -30.836294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.836294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.836294 (E_RNA) where: Base-Base interactions energy: -7.532 where: short stacking energy: -7.532 Base-Backbone interact. energy: -0.000 local terms energy: -23.304061 where: bonds (distance) C4'-P energy: -8.297 bonds (distance) P-C4' energy: -5.595 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -5.791 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: 1, replica: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -42.815387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.815387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.815387 (E_RNA) where: Base-Base interactions energy: -12.732 where: short stacking energy: -12.732 Base-Backbone interact. energy: -0.002 local terms energy: -30.081764 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -40.139883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.139883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.139883 (E_RNA) where: Base-Base interactions energy: -11.320 where: short stacking energy: -11.320 Base-Backbone interact. energy: -0.101 local terms energy: -28.718210 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -37.727138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.727138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.727138 (E_RNA) where: Base-Base interactions energy: -10.941 where: short stacking energy: -10.941 Base-Backbone interact. energy: -0.405 local terms energy: -26.380267 where: bonds (distance) C4'-P energy: -4.356 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -40.915725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.915725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.915725 (E_RNA) where: Base-Base interactions energy: -11.381 where: short stacking energy: -11.381 Base-Backbone interact. energy: -0.049 local terms energy: -29.485927 where: bonds (distance) C4'-P energy: -6.087 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -45.417158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.417158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.417158 (E_RNA) where: Base-Base interactions energy: -13.848 where: short stacking energy: -13.848 Base-Backbone interact. energy: -0.011 local terms energy: -31.558280 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -5.602 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: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -39.669924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.669924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.669924 (E_RNA) where: Base-Base interactions energy: -9.199 where: short stacking energy: -9.199 Base-Backbone interact. energy: -0.023 local terms energy: -30.448038 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -35.694657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.694657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.694657 (E_RNA) where: Base-Base interactions energy: -8.298 where: short stacking energy: -8.298 Base-Backbone interact. energy: -0.029 local terms energy: -27.367635 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: 1.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -34.855096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.855096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.855096 (E_RNA) where: Base-Base interactions energy: -12.162 where: short stacking energy: -12.162 Base-Backbone interact. energy: -0.005 local terms energy: -22.688589 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -5.454 flat angles C4'-P-C4' energy: -1.064 flat angles P-C4'-P energy: -5.084 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: 9, replica: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -38.873799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.873799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.873799 (E_RNA) where: Base-Base interactions energy: -8.144 where: short stacking energy: -8.144 Base-Backbone interact. energy: -0.159 local terms energy: -30.570074 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -31.335539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.335539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.335539 (E_RNA) where: Base-Base interactions energy: -6.712 where: short stacking energy: -6.712 Base-Backbone interact. energy: -0.066 local terms energy: -24.556953 where: bonds (distance) C4'-P energy: -4.734 bonds (distance) P-C4' energy: -6.372 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -51.421585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.421585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.421585 (E_RNA) where: Base-Base interactions energy: -18.827 where: short stacking energy: -18.070 Base-Backbone interact. energy: -0.293 local terms energy: -32.301783 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -6.216 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: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -39.140772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.140772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.140772 (E_RNA) where: Base-Base interactions energy: -9.302 where: short stacking energy: -9.302 Base-Backbone interact. energy: -0.055 local terms energy: -29.783802 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -5.721 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: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -40.165978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.165978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.165978 (E_RNA) where: Base-Base interactions energy: -10.717 where: short stacking energy: -8.609 Base-Backbone interact. energy: -0.176 local terms energy: -29.273359 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -5.216 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: 4, replica: 5 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -36.247947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.247947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.247947 (E_RNA) where: Base-Base interactions energy: -7.912 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.003 local terms energy: -28.333413 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -3.757 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -40.419300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.419300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.419300 (E_RNA) where: Base-Base interactions energy: -7.430 where: short stacking energy: -7.430 Base-Backbone interact. energy: -0.057 local terms energy: -32.932307 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -5.576 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: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -38.940658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.940658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.940658 (E_RNA) where: Base-Base interactions energy: -10.518 where: short stacking energy: -10.518 Base-Backbone interact. energy: -0.004 local terms energy: -28.418296 where: bonds (distance) C4'-P energy: -6.190 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -4.874 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: 7, replica: 9 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -32.271109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.271109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.271109 (E_RNA) where: Base-Base interactions energy: -3.742 where: short stacking energy: -3.742 Base-Backbone interact. energy: -0.748 local terms energy: -27.780908 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -35.405792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.405792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.405792 (E_RNA) where: Base-Base interactions energy: -7.780 where: short stacking energy: -5.542 Base-Backbone interact. energy: -0.015 local terms energy: -27.610988 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -6.447 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: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -33.810478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.810478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.810478 (E_RNA) where: Base-Base interactions energy: -7.374 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.010 local terms energy: -26.426286 where: bonds (distance) C4'-P energy: -6.156 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -3.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -41.797875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.797875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.797875 (E_RNA) where: Base-Base interactions energy: -10.414 where: short stacking energy: -10.414 Base-Backbone interact. energy: -0.000 local terms energy: -31.383610 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -6.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -43.373785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.373785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.373785 (E_RNA) where: Base-Base interactions energy: -12.124 where: short stacking energy: -12.124 Base-Backbone interact. energy: -0.085 local terms energy: -31.164534 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -6.228 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: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -45.500646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.500646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.500646 (E_RNA) where: Base-Base interactions energy: -15.358 where: short stacking energy: -15.358 Base-Backbone interact. energy: -0.009 local terms energy: -30.134112 where: bonds (distance) C4'-P energy: -6.149 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -5.316 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: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -39.610855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.610855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.610855 (E_RNA) where: Base-Base interactions energy: -6.841 where: short stacking energy: -7.461 Base-Backbone interact. energy: -1.773 local terms energy: -30.996675 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -4.895 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: 6 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -36.575005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.575005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.575005 (E_RNA) where: Base-Base interactions energy: -12.990 where: short stacking energy: -12.990 Base-Backbone interact. energy: -0.116 local terms energy: -23.468259 where: bonds (distance) C4'-P energy: -6.579 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -2.446 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: 5, replica: 5 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -40.135360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.135360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.135360 (E_RNA) where: Base-Base interactions energy: -11.677 where: short stacking energy: -11.677 Base-Backbone interact. energy: -0.057 local terms energy: -28.401375 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -4.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -36.055291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.055291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.055291 (E_RNA) where: Base-Base interactions energy: -8.440 where: short stacking energy: -8.440 Base-Backbone interact. energy: -0.163 local terms energy: -27.452287 where: bonds (distance) C4'-P energy: -6.198 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -35.062622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.062622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.062622 (E_RNA) where: Base-Base interactions energy: -9.323 where: short stacking energy: -9.323 Base-Backbone interact. energy: -0.380 local terms energy: -25.360375 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -2.822 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: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -33.587208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.587208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.587208 (E_RNA) where: Base-Base interactions energy: -7.415 where: short stacking energy: -7.415 Base-Backbone interact. energy: -0.318 local terms energy: -25.854987 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: 0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -35.133004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.133004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.133004 (E_RNA) where: Base-Base interactions energy: -6.283 where: short stacking energy: -6.065 Base-Backbone interact. energy: -0.111 local terms energy: -28.738919 where: bonds (distance) C4'-P energy: -5.702 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -6.475 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: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -33.894194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.894194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.894194 (E_RNA) where: Base-Base interactions energy: -6.331 where: short stacking energy: -6.331 Base-Backbone interact. energy: -0.130 local terms energy: -27.432309 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -6.054 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: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -54.732877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.732877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.732877 (E_RNA) where: Base-Base interactions energy: -19.925 where: short stacking energy: -19.925 Base-Backbone interact. energy: -0.808 local terms energy: -33.999705 where: bonds (distance) C4'-P energy: -5.570 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -8.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -43.931271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.931271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.931271 (E_RNA) where: Base-Base interactions energy: -12.921 where: short stacking energy: -12.921 Base-Backbone interact. energy: -0.002 local terms energy: -31.008000 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -5.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -40.143431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.143431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.143431 (E_RNA) where: Base-Base interactions energy: -10.681 where: short stacking energy: -10.681 Base-Backbone interact. energy: -0.000 local terms energy: -29.461706 where: bonds (distance) C4'-P energy: -6.686 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -5.389 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: 4, replica: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -41.794208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.794208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.794208 (E_RNA) where: Base-Base interactions energy: -13.503 where: short stacking energy: -13.503 Base-Backbone interact. energy: -0.009 local terms energy: -28.282882 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -3.037 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: 5, replica: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -37.539920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.539920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.539920 (E_RNA) where: Base-Base interactions energy: -10.538 where: short stacking energy: -10.461 Base-Backbone interact. energy: -0.086 local terms energy: -26.916153 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -4.984 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: 220 Temperature: 1.150000 Total energy: -34.619360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.619360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.619360 (E_RNA) where: Base-Base interactions energy: -6.952 where: short stacking energy: -6.952 Base-Backbone interact. energy: -0.016 local terms energy: -27.650582 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -39.510067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.510067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.510067 (E_RNA) where: Base-Base interactions energy: -11.752 where: short stacking energy: -10.777 Base-Backbone interact. energy: 0.029 local terms energy: -27.787034 where: bonds (distance) C4'-P energy: -5.888 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -38.621398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.621398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.621398 (E_RNA) where: Base-Base interactions energy: -11.379 where: short stacking energy: -11.379 Base-Backbone interact. energy: -0.001 local terms energy: -27.241511 where: bonds (distance) C4'-P energy: -3.898 bonds (distance) P-C4' energy: -6.939 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -5.169 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: 9, replica: 10 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -38.727600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.727600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.727600 (E_RNA) where: Base-Base interactions energy: -13.020 where: short stacking energy: -13.020 Base-Backbone interact. energy: -0.000 local terms energy: -25.707542 where: bonds (distance) C4'-P energy: -6.712 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -6.594 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: 3 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -35.607821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.607821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.607821 (E_RNA) where: Base-Base interactions energy: -8.227 where: short stacking energy: -8.227 Base-Backbone interact. energy: -0.175 local terms energy: -27.205984 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -4.181 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: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -50.860642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.860642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.860642 (E_RNA) where: Base-Base interactions energy: -18.845 where: short stacking energy: -18.845 Base-Backbone interact. energy: -0.000 local terms energy: -32.015532 where: bonds (distance) C4'-P energy: -6.600 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -6.004 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: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -39.091581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.091581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.091581 (E_RNA) where: Base-Base interactions energy: -10.458 where: short stacking energy: -10.458 Base-Backbone interact. energy: -0.000 local terms energy: -28.633221 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -42.105556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.105556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.105556 (E_RNA) where: Base-Base interactions energy: -14.053 where: short stacking energy: -14.053 Base-Backbone interact. energy: -0.089 local terms energy: -27.963894 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -4.286 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: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -37.506780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.506780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.506780 (E_RNA) where: Base-Base interactions energy: -13.278 where: short stacking energy: -12.658 Base-Backbone interact. energy: -0.077 local terms energy: -24.151766 where: bonds (distance) C4'-P energy: -3.838 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -4.191 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: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -39.324346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.324346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.324346 (E_RNA) where: Base-Base interactions energy: -10.139 where: short stacking energy: -10.250 Base-Backbone interact. energy: -0.000 local terms energy: -29.185413 where: bonds (distance) C4'-P energy: -5.660 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -39.270322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.270322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.270322 (E_RNA) where: Base-Base interactions energy: -14.088 where: short stacking energy: -14.088 Base-Backbone interact. energy: -0.454 local terms energy: -24.727839 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -4.715 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: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -34.102601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.102601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.102601 (E_RNA) where: Base-Base interactions energy: -4.908 where: short stacking energy: -4.908 Base-Backbone interact. energy: -0.208 local terms energy: -28.986255 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -6.297 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: 8, replica: 10 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -37.193819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.193819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.193819 (E_RNA) where: Base-Base interactions energy: -7.515 where: short stacking energy: -7.515 Base-Backbone interact. energy: -0.003 local terms energy: -29.675606 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -32.683928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.683928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.683928 (E_RNA) where: Base-Base interactions energy: -10.212 where: short stacking energy: -10.212 Base-Backbone interact. energy: -0.019 local terms energy: -22.452595 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -2.009 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: 10, replica: 3 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -30.842376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.842376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.842376 (E_RNA) where: Base-Base interactions energy: -5.944 where: short stacking energy: -6.055 Base-Backbone interact. energy: 2.044 local terms energy: -26.942381 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -4.368 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: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -47.247741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.247741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.247741 (E_RNA) where: Base-Base interactions energy: -13.851 where: short stacking energy: -13.851 Base-Backbone interact. energy: -0.064 local terms energy: -33.332577 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -6.862 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -5.742 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: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -47.713758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.713758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.713758 (E_RNA) where: Base-Base interactions energy: -15.192 where: short stacking energy: -15.192 Base-Backbone interact. energy: -0.002 local terms energy: -32.519861 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -7.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -42.551694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.551694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.551694 (E_RNA) where: Base-Base interactions energy: -11.704 where: short stacking energy: -11.704 Base-Backbone interact. energy: -0.038 local terms energy: -30.810081 where: bonds (distance) C4'-P energy: -6.087 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -5.442 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: 4, replica: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -35.022710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.022710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.022710 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.832 Base-Backbone interact. energy: -0.000 local terms energy: -28.190274 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -38.572435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.572435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.572435 (E_RNA) where: Base-Base interactions energy: -11.040 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.007 local terms energy: -27.525242 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -5.891 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -34.499693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.499693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.499693 (E_RNA) where: Base-Base interactions energy: -3.360 where: short stacking energy: -3.360 Base-Backbone interact. energy: -0.193 local terms energy: -30.946615 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.760 flat angles P-C4'-P energy: -5.017 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: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -34.633833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.633833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.633833 (E_RNA) where: Base-Base interactions energy: -10.106 where: short stacking energy: -10.106 Base-Backbone interact. energy: -0.001 local terms energy: -24.527299 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -32.575960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.575960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.575960 (E_RNA) where: Base-Base interactions energy: -4.236 where: short stacking energy: -4.236 Base-Backbone interact. energy: -0.080 local terms energy: -28.259451 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -1.219 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: 9, replica: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -30.251782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.251782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.251782 (E_RNA) where: Base-Base interactions energy: -7.858 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.113 local terms energy: -22.280057 where: bonds (distance) C4'-P energy: -5.238 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -1.656 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: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -28.446117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.446117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.446117 (E_RNA) where: Base-Base interactions energy: -3.613 where: short stacking energy: -3.613 Base-Backbone interact. energy: -0.088 local terms energy: -24.745105 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -4.773 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: 1, replica: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -41.354788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.354788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.354788 (E_RNA) where: Base-Base interactions energy: -11.158 where: short stacking energy: -11.158 Base-Backbone interact. energy: -0.082 local terms energy: -30.114591 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -48.717650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.717650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.717650 (E_RNA) where: Base-Base interactions energy: -17.650 where: short stacking energy: -17.650 Base-Backbone interact. energy: -0.030 local terms energy: -31.037511 where: bonds (distance) C4'-P energy: -7.346 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -8.007 flat angles P-C4'-P energy: -5.822 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: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -44.476898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.476898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.476898 (E_RNA) where: Base-Base interactions energy: -14.228 where: short stacking energy: -14.228 Base-Backbone interact. energy: -0.013 local terms energy: -30.235544 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -3.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -36.777598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.777598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.777598 (E_RNA) where: Base-Base interactions energy: -10.143 where: short stacking energy: -10.143 Base-Backbone interact. energy: -0.023 local terms energy: -26.611750 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -4.251 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: 5, replica: 5 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -34.931144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.931144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.931144 (E_RNA) where: Base-Base interactions energy: -8.064 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.047 local terms energy: -26.819955 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -4.987 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: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -39.365352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.365352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.365352 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.000 local terms energy: -28.201111 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.898 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: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -31.652067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.652067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.652067 (E_RNA) where: Base-Base interactions energy: -5.732 where: short stacking energy: -5.732 Base-Backbone interact. energy: -0.033 local terms energy: -25.887082 where: bonds (distance) C4'-P energy: -6.489 bonds (distance) P-C4' energy: -6.903 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: 0.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -37.048392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.048392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.048392 (E_RNA) where: Base-Base interactions energy: -8.475 where: short stacking energy: -8.475 Base-Backbone interact. energy: 0.038 local terms energy: -28.611205 where: bonds (distance) C4'-P energy: -6.844 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -5.551 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: 9, replica: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -32.658159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.658159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.658159 (E_RNA) where: Base-Base interactions energy: -10.844 where: short stacking energy: -10.844 Base-Backbone interact. energy: -0.006 local terms energy: -21.808434 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -4.752 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: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -35.841863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.841863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.841863 (E_RNA) where: Base-Base interactions energy: -9.412 where: short stacking energy: -9.412 Base-Backbone interact. energy: -0.159 local terms energy: -26.271453 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -2.718 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: 1, replica: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -48.814329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.814329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.814329 (E_RNA) where: Base-Base interactions energy: -12.242 where: short stacking energy: -12.242 Base-Backbone interact. energy: -0.006 local terms energy: -36.565517 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -5.532 tors. eta vs tors. theta energy: -6.567 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: 6 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -50.094499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.094499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.094499 (E_RNA) where: Base-Base interactions energy: -18.861 where: short stacking energy: -15.051 Base-Backbone interact. energy: -0.000 local terms energy: -31.232993 where: bonds (distance) C4'-P energy: -5.031 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -43.370895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.370895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.370895 (E_RNA) where: Base-Base interactions energy: -14.422 where: short stacking energy: -14.422 Base-Backbone interact. energy: -0.050 local terms energy: -28.898812 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -7.420 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -3.647 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: 4, replica: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -43.995842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.995842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.995842 (E_RNA) where: Base-Base interactions energy: -10.153 where: short stacking energy: -8.529 Base-Backbone interact. energy: -0.850 local terms energy: -32.992601 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -6.421 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: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -36.141567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.141567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.141567 (E_RNA) where: Base-Base interactions energy: -5.320 where: short stacking energy: -4.167 Base-Backbone interact. energy: -0.460 local terms energy: -30.362077 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -6.015 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: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -43.327046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.327046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.327046 (E_RNA) where: Base-Base interactions energy: -12.560 where: short stacking energy: -12.560 Base-Backbone interact. energy: -0.000 local terms energy: -30.766791 where: bonds (distance) C4'-P energy: -6.112 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -36.275359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.275359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.275359 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -10.320 Base-Backbone interact. energy: -0.001 local terms energy: -25.954123 where: bonds (distance) C4'-P energy: -5.755 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -36.439147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.439147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.439147 (E_RNA) where: Base-Base interactions energy: -11.142 where: short stacking energy: -11.142 Base-Backbone interact. energy: -0.004 local terms energy: -25.292659 where: bonds (distance) C4'-P energy: -5.649 bonds (distance) P-C4' energy: -5.396 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -35.690466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.690466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.690466 (E_RNA) where: Base-Base interactions energy: -8.800 where: short stacking energy: -8.800 Base-Backbone interact. energy: -0.015 local terms energy: -26.876181 where: bonds (distance) C4'-P energy: -5.230 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -4.444 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: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -30.898110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.898110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.898110 (E_RNA) where: Base-Base interactions energy: -7.731 where: short stacking energy: -7.224 Base-Backbone interact. energy: -0.098 local terms energy: -23.068631 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -1.754 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: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -43.544012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.544012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.544012 (E_RNA) where: Base-Base interactions energy: -13.101 where: short stacking energy: -13.101 Base-Backbone interact. energy: -0.007 local terms energy: -30.435597 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -44.722395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.722395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.722395 (E_RNA) where: Base-Base interactions energy: -18.040 where: short stacking energy: -14.141 Base-Backbone interact. energy: -0.001 local terms energy: -26.681953 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -38.775038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.775038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.775038 (E_RNA) where: Base-Base interactions energy: -7.043 where: short stacking energy: -7.043 Base-Backbone interact. energy: -0.295 local terms energy: -31.436791 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -37.396106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.396106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.396106 (E_RNA) where: Base-Base interactions energy: -8.489 where: short stacking energy: -8.489 Base-Backbone interact. energy: -0.001 local terms energy: -28.906735 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -6.731 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: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -38.218396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.218396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.218396 (E_RNA) where: Base-Base interactions energy: -10.559 where: short stacking energy: -10.559 Base-Backbone interact. energy: -0.098 local terms energy: -27.561171 where: bonds (distance) C4'-P energy: -6.112 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -4.392 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: 6, replica: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -34.285383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.285383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.285383 (E_RNA) where: Base-Base interactions energy: -8.247 where: short stacking energy: -8.247 Base-Backbone interact. energy: -0.010 local terms energy: -26.027523 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -0.875 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -31.438562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.438562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.438562 (E_RNA) where: Base-Base interactions energy: -6.410 where: short stacking energy: -6.410 Base-Backbone interact. energy: -0.075 local terms energy: -24.953732 where: bonds (distance) C4'-P energy: -6.153 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -3.178 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: 8, replica: 2 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -30.685585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.685585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.685585 (E_RNA) where: Base-Base interactions energy: -5.568 where: short stacking energy: -5.568 Base-Backbone interact. energy: -0.025 local terms energy: -25.092880 where: bonds (distance) C4'-P energy: -6.563 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -34.903327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.903327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.903327 (E_RNA) where: Base-Base interactions energy: -9.931 where: short stacking energy: -9.931 Base-Backbone interact. energy: -0.000 local terms energy: -24.972610 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -3.243 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -3.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -28.639832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.639832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.639832 (E_RNA) where: Base-Base interactions energy: -8.280 where: short stacking energy: -6.845 Base-Backbone interact. energy: -0.025 local terms energy: -20.334308 where: bonds (distance) C4'-P energy: -4.625 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -2.631 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: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -45.605216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.605216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.605216 (E_RNA) where: Base-Base interactions energy: -13.877 where: short stacking energy: -13.877 Base-Backbone interact. energy: -0.096 local terms energy: -31.631850 where: bonds (distance) C4'-P energy: -7.188 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -40.812751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.812751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.812751 (E_RNA) where: Base-Base interactions energy: -15.108 where: short stacking energy: -15.108 Base-Backbone interact. energy: -0.099 local terms energy: -25.606120 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -6.774 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -36.711841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.711841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.711841 (E_RNA) where: Base-Base interactions energy: -9.755 where: short stacking energy: -9.855 Base-Backbone interact. energy: -0.040 local terms energy: -26.916604 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -2.210 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: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -42.742765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.742765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.742765 (E_RNA) where: Base-Base interactions energy: -12.817 where: short stacking energy: -7.754 Base-Backbone interact. energy: -0.290 local terms energy: -29.636063 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -6.108 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -4.784 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: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -38.839583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.839583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.839583 (E_RNA) where: Base-Base interactions energy: -14.435 where: short stacking energy: -14.435 Base-Backbone interact. energy: -0.054 local terms energy: -24.350371 where: bonds (distance) C4'-P energy: -4.070 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -34.526565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.526565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.526565 (E_RNA) where: Base-Base interactions energy: -8.286 where: short stacking energy: -8.286 Base-Backbone interact. energy: -0.000 local terms energy: -26.240688 where: bonds (distance) C4'-P energy: -3.003 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -5.206 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -30.421071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.421071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.421071 (E_RNA) where: Base-Base interactions energy: -6.847 where: short stacking energy: -6.847 Base-Backbone interact. energy: -0.083 local terms energy: -23.490378 where: bonds (distance) C4'-P energy: -4.932 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -0.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -31.900280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.900280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.900280 (E_RNA) where: Base-Base interactions energy: -6.018 where: short stacking energy: -6.018 Base-Backbone interact. energy: -0.001 local terms energy: -25.882165 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -31.255898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.255898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.255898 (E_RNA) where: Base-Base interactions energy: -7.284 where: short stacking energy: -5.684 Base-Backbone interact. energy: -0.096 local terms energy: -23.875895 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -2.022 tors. eta vs tors. theta energy: -2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -29.333536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.333536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.333536 (E_RNA) where: Base-Base interactions energy: -4.146 where: short stacking energy: -4.146 Base-Backbone interact. energy: -0.146 local terms energy: -25.041153 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -6.663 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -45.085869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.085869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.085869 (E_RNA) where: Base-Base interactions energy: -12.644 where: short stacking energy: -12.644 Base-Backbone interact. energy: -0.014 local terms energy: -32.427635 where: bonds (distance) C4'-P energy: -5.391 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -7.008 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: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -43.754424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.754424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.754424 (E_RNA) where: Base-Base interactions energy: -13.798 where: short stacking energy: -13.798 Base-Backbone interact. energy: -0.196 local terms energy: -29.760901 where: bonds (distance) C4'-P energy: -6.335 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -36.700631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.700631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.700631 (E_RNA) where: Base-Base interactions energy: -12.528 where: short stacking energy: -12.528 Base-Backbone interact. energy: -0.026 local terms energy: -24.146148 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: 1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -39.934804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.934804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.934804 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.058 local terms energy: -29.451493 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -42.994153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.994153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.994153 (E_RNA) where: Base-Base interactions energy: -10.956 where: short stacking energy: -10.956 Base-Backbone interact. energy: -0.043 local terms energy: -31.995161 where: bonds (distance) C4'-P energy: -5.023 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -6.215 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: 6, replica: 4 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -37.299111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.299111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.299111 (E_RNA) where: Base-Base interactions energy: -12.830 where: short stacking energy: -12.830 Base-Backbone interact. energy: 0.298 local terms energy: -24.766710 where: bonds (distance) C4'-P energy: -5.792 bonds (distance) P-C4' energy: -6.436 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -33.931715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.931715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.931715 (E_RNA) where: Base-Base interactions energy: -7.426 where: short stacking energy: -7.426 Base-Backbone interact. energy: -0.144 local terms energy: -26.361295 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -6.770 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -34.768344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.768344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.768344 (E_RNA) where: Base-Base interactions energy: -7.013 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.002 local terms energy: -27.752890 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -33.842577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.842577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.842577 (E_RNA) where: Base-Base interactions energy: -11.588 where: short stacking energy: -11.588 Base-Backbone interact. energy: -0.490 local terms energy: -21.764290 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -3.954 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: 0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -32.182320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.182320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.182320 (E_RNA) where: Base-Base interactions energy: -8.829 where: short stacking energy: -8.829 Base-Backbone interact. energy: -0.006 local terms energy: -23.346473 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -2.588 tors. eta vs tors. theta energy: -2.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -45.137687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.137687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.137687 (E_RNA) where: Base-Base interactions energy: -13.246 where: short stacking energy: -11.200 Base-Backbone interact. energy: -0.074 local terms energy: -31.818452 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -43.489055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.489055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.489055 (E_RNA) where: Base-Base interactions energy: -13.578 where: short stacking energy: -13.578 Base-Backbone interact. energy: -0.001 local terms energy: -29.910571 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -6.059 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -46.689044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.689044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.689044 (E_RNA) where: Base-Base interactions energy: -18.792 where: short stacking energy: -18.046 Base-Backbone interact. energy: 0.411 local terms energy: -28.308192 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -2.296 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -5.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -39.421112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.421112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.421112 (E_RNA) where: Base-Base interactions energy: -10.695 where: short stacking energy: -10.695 Base-Backbone interact. energy: 0.499 local terms energy: -29.225088 where: bonds (distance) C4'-P energy: -5.290 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -4.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -35.285244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.285244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.285244 (E_RNA) where: Base-Base interactions energy: -9.160 where: short stacking energy: -9.160 Base-Backbone interact. energy: -0.100 local terms energy: -26.025351 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.193 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -3.667 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: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -32.657838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.657838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.657838 (E_RNA) where: Base-Base interactions energy: -6.744 where: short stacking energy: -6.744 Base-Backbone interact. energy: -0.082 local terms energy: -25.832353 where: bonds (distance) C4'-P energy: -5.610 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -4.473 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: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -35.720150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.720150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.720150 (E_RNA) where: Base-Base interactions energy: -10.210 where: short stacking energy: -10.210 Base-Backbone interact. energy: -0.000 local terms energy: -25.509883 where: bonds (distance) C4'-P energy: -4.745 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -36.770957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.770957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.770957 (E_RNA) where: Base-Base interactions energy: -8.564 where: short stacking energy: -9.657 Base-Backbone interact. energy: -1.103 local terms energy: -27.103866 where: bonds (distance) C4'-P energy: -5.693 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -36.752034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.752034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.752034 (E_RNA) where: Base-Base interactions energy: -8.136 where: short stacking energy: -8.136 Base-Backbone interact. energy: -0.006 local terms energy: -28.609833 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -5.953 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -5.336 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: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -29.425367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.425367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.425367 (E_RNA) where: Base-Base interactions energy: -6.309 where: short stacking energy: -6.309 Base-Backbone interact. energy: -0.003 local terms energy: -23.113732 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -4.132 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: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -43.375696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.375696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.375696 (E_RNA) where: Base-Base interactions energy: -10.712 where: short stacking energy: -10.712 Base-Backbone interact. energy: -0.065 local terms energy: -32.598148 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -4.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -42.392903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.392903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.392903 (E_RNA) where: Base-Base interactions energy: -14.222 where: short stacking energy: -14.222 Base-Backbone interact. energy: -0.000 local terms energy: -28.170489 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: -4.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -40.381228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.381228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.381228 (E_RNA) where: Base-Base interactions energy: -14.744 where: short stacking energy: -13.568 Base-Backbone interact. energy: -0.000 local terms energy: -25.636995 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -0.009 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: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -35.325289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.325289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.325289 (E_RNA) where: Base-Base interactions energy: -5.933 where: short stacking energy: -6.415 Base-Backbone interact. energy: -0.000 local terms energy: -29.392158 where: bonds (distance) C4'-P energy: -5.267 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -32.700123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.700123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.700123 (E_RNA) where: Base-Base interactions energy: -6.364 where: short stacking energy: -6.364 Base-Backbone interact. energy: -0.342 local terms energy: -25.994517 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -5.843 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: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -36.544076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.544076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.544076 (E_RNA) where: Base-Base interactions energy: -8.335 where: short stacking energy: -8.335 Base-Backbone interact. energy: -0.022 local terms energy: -28.186981 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -0.979 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: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -33.765319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.765319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.765319 (E_RNA) where: Base-Base interactions energy: -3.808 where: short stacking energy: -3.808 Base-Backbone interact. energy: -0.029 local terms energy: -29.928198 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -4.612 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: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -35.506082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.506082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.506082 (E_RNA) where: Base-Base interactions energy: -10.085 where: short stacking energy: -10.085 Base-Backbone interact. energy: -0.000 local terms energy: -25.421498 where: bonds (distance) C4'-P energy: -4.564 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.326 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: 9, replica: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -32.029360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.029360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.029360 (E_RNA) where: Base-Base interactions energy: -7.250 where: short stacking energy: -7.250 Base-Backbone interact. energy: -0.009 local terms energy: -24.770288 where: bonds (distance) C4'-P energy: -6.543 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -32.517362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.517362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.517362 (E_RNA) where: Base-Base interactions energy: -4.702 where: short stacking energy: -5.582 Base-Backbone interact. energy: -0.195 local terms energy: -27.619655 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -6.531 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: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -46.412119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.412119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.412119 (E_RNA) where: Base-Base interactions energy: -16.353 where: short stacking energy: -16.353 Base-Backbone interact. energy: -0.108 local terms energy: -29.950749 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -6.099 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: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -51.475734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.475734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.475734 (E_RNA) where: Base-Base interactions energy: -18.582 where: short stacking energy: -15.404 Base-Backbone interact. energy: -0.204 local terms energy: -32.690036 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -6.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -39.798844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.798844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.798844 (E_RNA) where: Base-Base interactions energy: -11.150 where: short stacking energy: -11.150 Base-Backbone interact. energy: -0.073 local terms energy: -28.575794 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -6.188 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -2.143 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: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -39.403603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.403603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.403603 (E_RNA) where: Base-Base interactions energy: -15.751 where: short stacking energy: -13.858 Base-Backbone interact. energy: -0.006 local terms energy: -23.646980 where: bonds (distance) C4'-P energy: -5.772 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -49.094649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.094649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.094649 (E_RNA) where: Base-Base interactions energy: -16.616 where: short stacking energy: -16.616 Base-Backbone interact. energy: -0.091 local terms energy: -32.387288 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -5.459 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: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -36.081274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.081274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.081274 (E_RNA) where: Base-Base interactions energy: -7.895 where: short stacking energy: -7.895 Base-Backbone interact. energy: -0.110 local terms energy: -28.076143 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -33.039209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.039209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.039209 (E_RNA) where: Base-Base interactions energy: -7.669 where: short stacking energy: -7.669 Base-Backbone interact. energy: -0.092 local terms energy: -25.277539 where: bonds (distance) C4'-P energy: -4.787 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -5.347 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: 8, replica: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -34.141857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.141857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.141857 (E_RNA) where: Base-Base interactions energy: -8.958 where: short stacking energy: -7.720 Base-Backbone interact. energy: 0.618 local terms energy: -25.801989 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.867 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: 9, replica: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -33.362536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.362536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.362536 (E_RNA) where: Base-Base interactions energy: -6.554 where: short stacking energy: -6.554 Base-Backbone interact. energy: -0.017 local terms energy: -26.790655 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: 0.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -32.465143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.465143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.465143 (E_RNA) where: Base-Base interactions energy: -13.833 where: short stacking energy: -6.314 Base-Backbone interact. energy: -0.173 local terms energy: -18.458970 where: bonds (distance) C4'-P energy: -5.242 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -2.484 tors. eta vs tors. theta energy: 2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -53.184819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.184819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.184819 (E_RNA) where: Base-Base interactions energy: -16.274 where: short stacking energy: -16.274 Base-Backbone interact. energy: -0.053 local terms energy: -36.857968 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -8.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -51.085327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.085327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.085327 (E_RNA) where: Base-Base interactions energy: -19.436 where: short stacking energy: -11.509 Base-Backbone interact. energy: -0.117 local terms energy: -31.532445 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -6.634 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: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -34.880133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.880133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.880133 (E_RNA) where: Base-Base interactions energy: -7.181 where: short stacking energy: -7.181 Base-Backbone interact. energy: -0.126 local terms energy: -27.572908 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -6.446 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: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -45.802127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.802127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.802127 (E_RNA) where: Base-Base interactions energy: -15.288 where: short stacking energy: -15.288 Base-Backbone interact. energy: -0.035 local terms energy: -30.479706 where: bonds (distance) C4'-P energy: -6.243 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -5.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -37.617743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.617743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.617743 (E_RNA) where: Base-Base interactions energy: -9.040 where: short stacking energy: -9.040 Base-Backbone interact. energy: -0.000 local terms energy: -28.577364 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.448 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: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -33.495371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.495371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.495371 (E_RNA) where: Base-Base interactions energy: -9.393 where: short stacking energy: -9.393 Base-Backbone interact. energy: -0.101 local terms energy: -24.001098 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -2.794 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: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -39.487744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.487744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.487744 (E_RNA) where: Base-Base interactions energy: -9.529 where: short stacking energy: -9.529 Base-Backbone interact. energy: -0.006 local terms energy: -29.952962 where: bonds (distance) C4'-P energy: -7.168 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -6.227 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: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -34.428390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.428390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.428390 (E_RNA) where: Base-Base interactions energy: -9.222 where: short stacking energy: -9.222 Base-Backbone interact. energy: 0.159 local terms energy: -25.365176 where: bonds (distance) C4'-P energy: -6.691 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -5.304 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: 9, replica: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -33.912087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.912087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.912087 (E_RNA) where: Base-Base interactions energy: -4.984 where: short stacking energy: -3.840 Base-Backbone interact. energy: 0.333 local terms energy: -29.260780 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -33.230018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.230018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.230018 (E_RNA) where: Base-Base interactions energy: -4.000 where: short stacking energy: -4.000 Base-Backbone interact. energy: -0.000 local terms energy: -29.229987 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -5.884 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: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -41.978446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.978446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.978446 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.037 local terms energy: -28.815273 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -5.633 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: 2, replica: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -41.470943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.470943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.470943 (E_RNA) where: Base-Base interactions energy: -13.969 where: short stacking energy: -13.969 Base-Backbone interact. energy: -0.098 local terms energy: -27.404315 where: bonds (distance) C4'-P energy: -5.507 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -5.851 tors. eta vs tors. theta energy: -3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -50.773566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.773566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.773566 (E_RNA) where: Base-Base interactions energy: -17.513 where: short stacking energy: -17.513 Base-Backbone interact. energy: -0.000 local terms energy: -33.260019 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -4.826 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: 232 Temperature: 1.050000 Total energy: -39.506735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.506735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.506735 (E_RNA) where: Base-Base interactions energy: -12.216 where: short stacking energy: -12.216 Base-Backbone interact. energy: -0.006 local terms energy: -27.285568 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -4.831 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: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -39.706165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.706165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.706165 (E_RNA) where: Base-Base interactions energy: -13.220 where: short stacking energy: -13.220 Base-Backbone interact. energy: -0.004 local terms energy: -26.482260 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -5.849 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -2.744 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: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -34.274107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.274107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.274107 (E_RNA) where: Base-Base interactions energy: -11.097 where: short stacking energy: -9.679 Base-Backbone interact. energy: -0.147 local terms energy: -23.029594 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.160 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: 1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -37.286660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.286660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.286660 (E_RNA) where: Base-Base interactions energy: -8.839 where: short stacking energy: -8.839 Base-Backbone interact. energy: -0.006 local terms energy: -28.441674 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -34.346181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.346181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.346181 (E_RNA) where: Base-Base interactions energy: -7.821 where: short stacking energy: -7.199 Base-Backbone interact. energy: -1.045 local terms energy: -25.480191 where: bonds (distance) C4'-P energy: -4.096 bonds (distance) P-C4' energy: -5.457 flat angles C4'-P-C4' energy: -7.723 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -3.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -31.627565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.627565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.627565 (E_RNA) where: Base-Base interactions energy: -6.689 where: short stacking energy: -6.689 Base-Backbone interact. energy: -0.016 local terms energy: -24.923047 where: bonds (distance) C4'-P energy: -6.220 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -4.019 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: 232 Temperature: 1.350000 Total energy: -35.153227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.153227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.153227 (E_RNA) where: Base-Base interactions energy: -8.325 where: short stacking energy: -7.443 Base-Backbone interact. energy: -0.108 local terms energy: -26.720281 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.425 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: 1, replica: 4 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -44.236314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.236314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.236314 (E_RNA) where: Base-Base interactions energy: -13.525 where: short stacking energy: -13.525 Base-Backbone interact. energy: -1.210 local terms energy: -29.500951 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -4.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -44.512244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.512244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.512244 (E_RNA) where: Base-Base interactions energy: -14.808 where: short stacking energy: -14.808 Base-Backbone interact. energy: -0.002 local terms energy: -29.702776 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -4.835 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: 3, replica: 8 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -44.872055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.872055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.872055 (E_RNA) where: Base-Base interactions energy: -14.190 where: short stacking energy: -14.190 Base-Backbone interact. energy: -0.019 local terms energy: -30.662932 where: bonds (distance) C4'-P energy: -7.672 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -34.176573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.176573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.176573 (E_RNA) where: Base-Base interactions energy: -6.540 where: short stacking energy: -6.540 Base-Backbone interact. energy: -0.002 local terms energy: -27.635568 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: 0.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -37.551808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.551808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.551808 (E_RNA) where: Base-Base interactions energy: -10.675 where: short stacking energy: -10.675 Base-Backbone interact. energy: -0.070 local terms energy: -26.806929 where: bonds (distance) C4'-P energy: -5.926 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -36.333734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.333734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.333734 (E_RNA) where: Base-Base interactions energy: -9.743 where: short stacking energy: -9.743 Base-Backbone interact. energy: -0.003 local terms energy: -26.587695 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -1.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -34.985381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.985381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.985381 (E_RNA) where: Base-Base interactions energy: -6.189 where: short stacking energy: -6.189 Base-Backbone interact. energy: -0.000 local terms energy: -28.795885 where: bonds (distance) C4'-P energy: -6.861 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.212 flat angles P-C4'-P energy: -4.369 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: 8, replica: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -33.810657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.810657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.810657 (E_RNA) where: Base-Base interactions energy: -6.678 where: short stacking energy: -5.234 Base-Backbone interact. energy: -0.140 local terms energy: -26.992203 where: bonds (distance) C4'-P energy: -5.424 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -5.912 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: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -33.534939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.534939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.534939 (E_RNA) where: Base-Base interactions energy: -8.860 where: short stacking energy: -8.005 Base-Backbone interact. energy: -0.038 local terms energy: -24.637187 where: bonds (distance) C4'-P energy: -7.163 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -2.993 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: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -33.264957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.264957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.264957 (E_RNA) where: Base-Base interactions energy: -5.870 where: short stacking energy: -5.870 Base-Backbone interact. energy: -0.000 local terms energy: -27.394779 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -2.500 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -42.782982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.782982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.782982 (E_RNA) where: Base-Base interactions energy: -10.535 where: short stacking energy: -9.197 Base-Backbone interact. energy: -0.001 local terms energy: -32.247646 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.711 tors. eta vs tors. theta energy: -4.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -41.160077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.160077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.160077 (E_RNA) where: Base-Base interactions energy: -11.327 where: short stacking energy: -8.924 Base-Backbone interact. energy: -0.003 local terms energy: -29.829831 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -2.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -42.375423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.375423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.375423 (E_RNA) where: Base-Base interactions energy: -10.203 where: short stacking energy: -10.203 Base-Backbone interact. energy: -0.020 local terms energy: -32.152436 where: bonds (distance) C4'-P energy: -4.932 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.977 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -5.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -38.814269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.814269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.814269 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.416 local terms energy: -27.894152 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -5.046 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: 5, replica: 5 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -34.333458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.333458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.333458 (E_RNA) where: Base-Base interactions energy: -6.482 where: short stacking energy: -6.482 Base-Backbone interact. energy: -0.180 local terms energy: -27.671220 where: bonds (distance) C4'-P energy: -7.581 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -5.058 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: 6, replica: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -36.052695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.052695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.052695 (E_RNA) where: Base-Base interactions energy: -8.792 where: short stacking energy: -8.792 Base-Backbone interact. energy: -0.025 local terms energy: -27.234981 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -2.364 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: 7, replica: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -34.083022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.083022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.083022 (E_RNA) where: Base-Base interactions energy: -8.014 where: short stacking energy: -8.014 Base-Backbone interact. energy: -0.100 local terms energy: -25.969428 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -31.079448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.079448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.079448 (E_RNA) where: Base-Base interactions energy: -6.043 where: short stacking energy: -6.043 Base-Backbone interact. energy: -0.092 local terms energy: -24.943717 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -4.317 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -35.477736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.477736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.477736 (E_RNA) where: Base-Base interactions energy: -11.028 where: short stacking energy: -11.028 Base-Backbone interact. energy: -0.134 local terms energy: -24.315248 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -3.850 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: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -34.085186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.085186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.085186 (E_RNA) where: Base-Base interactions energy: -8.842 where: short stacking energy: -8.842 Base-Backbone interact. energy: -0.063 local terms energy: -25.180592 where: bonds (distance) C4'-P energy: -6.757 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -3.065 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: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -50.891310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.891310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.891310 (E_RNA) where: Base-Base interactions energy: -19.592 where: short stacking energy: -15.112 Base-Backbone interact. energy: -0.010 local terms energy: -31.289286 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -5.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -44.659013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.659013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.659013 (E_RNA) where: Base-Base interactions energy: -15.808 where: short stacking energy: -15.808 Base-Backbone interact. energy: -0.000 local terms energy: -28.850853 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -4.496 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: 3, replica: 4 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -41.977718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.977718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.977718 (E_RNA) where: Base-Base interactions energy: -13.952 where: short stacking energy: -12.908 Base-Backbone interact. energy: -0.063 local terms energy: -27.962727 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -4.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -42.926154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.926154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.926154 (E_RNA) where: Base-Base interactions energy: -13.750 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.100 local terms energy: -29.076570 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -4.283 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: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -34.431751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.431751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.431751 (E_RNA) where: Base-Base interactions energy: -7.748 where: short stacking energy: -7.748 Base-Backbone interact. energy: -0.003 local terms energy: -26.680974 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -0.699 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: 6, replica: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -36.067109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.067109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.067109 (E_RNA) where: Base-Base interactions energy: -5.376 where: short stacking energy: -4.731 Base-Backbone interact. energy: -0.142 local terms energy: -30.549098 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -4.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -32.275401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.275401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.275401 (E_RNA) where: Base-Base interactions energy: -9.600 where: short stacking energy: -9.600 Base-Backbone interact. energy: -0.185 local terms energy: -22.489851 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -4.194 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -37.761122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.761122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.761122 (E_RNA) where: Base-Base interactions energy: -5.484 where: short stacking energy: -3.904 Base-Backbone interact. energy: -0.003 local terms energy: -32.273637 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -31.188223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.188223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.188223 (E_RNA) where: Base-Base interactions energy: -5.706 where: short stacking energy: -5.706 Base-Backbone interact. energy: 1.248 local terms energy: -26.729804 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -4.555 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: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -31.687424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.687424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.687424 (E_RNA) where: Base-Base interactions energy: -7.867 where: short stacking energy: -7.745 Base-Backbone interact. energy: -0.024 local terms energy: -23.796288 where: bonds (distance) C4'-P energy: -4.327 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -47.883804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.883804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.883804 (E_RNA) where: Base-Base interactions energy: -18.424 where: short stacking energy: -18.424 Base-Backbone interact. energy: -0.000 local terms energy: -29.460029 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -6.609 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: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -41.171160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.171160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.171160 (E_RNA) where: Base-Base interactions energy: -11.681 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.136 local terms energy: -29.354521 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -4.900 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: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -43.258499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.258499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.258499 (E_RNA) where: Base-Base interactions energy: -13.291 where: short stacking energy: -13.291 Base-Backbone interact. energy: -0.023 local terms energy: -29.944088 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -3.846 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: 4, replica: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -39.905837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.905837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.905837 (E_RNA) where: Base-Base interactions energy: -13.096 where: short stacking energy: -13.096 Base-Backbone interact. energy: -0.014 local terms energy: -26.796357 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -5.383 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: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -36.396629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.396629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.396629 (E_RNA) where: Base-Base interactions energy: -10.892 where: short stacking energy: -10.892 Base-Backbone interact. energy: -0.098 local terms energy: -25.406701 where: bonds (distance) C4'-P energy: -6.874 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: 0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -30.373771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.373771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.373771 (E_RNA) where: Base-Base interactions energy: -4.779 where: short stacking energy: -4.779 Base-Backbone interact. energy: -0.025 local terms energy: -25.569882 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.881 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: 7, replica: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -33.509423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.509423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.509423 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.001 local terms energy: -22.151599 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -0.796 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -32.416175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.416175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.416175 (E_RNA) where: Base-Base interactions energy: -2.890 where: short stacking energy: -2.890 Base-Backbone interact. energy: -0.000 local terms energy: -29.526044 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -31.432612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.432612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.432612 (E_RNA) where: Base-Base interactions energy: -5.843 where: short stacking energy: -5.843 Base-Backbone interact. energy: -0.097 local terms energy: -25.492827 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -6.073 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -31.562021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.562021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.562021 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.047 local terms energy: -20.881096 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -2.742 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -52.384760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.384760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.384760 (E_RNA) where: Base-Base interactions energy: -16.935 where: short stacking energy: -16.935 Base-Backbone interact. energy: -0.037 local terms energy: -35.412526 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -5.658 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: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -43.861954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.861954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.861954 (E_RNA) where: Base-Base interactions energy: -15.630 where: short stacking energy: -15.630 Base-Backbone interact. energy: -0.181 local terms energy: -28.050936 where: bonds (distance) C4'-P energy: -5.354 bonds (distance) P-C4' energy: -5.825 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -44.217958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.217958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.217958 (E_RNA) where: Base-Base interactions energy: -15.560 where: short stacking energy: -14.216 Base-Backbone interact. energy: -0.710 local terms energy: -27.947805 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -34.167053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.167053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.167053 (E_RNA) where: Base-Base interactions energy: -10.915 where: short stacking energy: -10.915 Base-Backbone interact. energy: -0.210 local terms energy: -23.042653 where: bonds (distance) C4'-P energy: -5.461 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -4.638 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: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -34.929908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.929908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.929908 (E_RNA) where: Base-Base interactions energy: -8.682 where: short stacking energy: -7.134 Base-Backbone interact. energy: -0.194 local terms energy: -26.053168 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -5.375 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: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -30.970701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.970701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.970701 (E_RNA) where: Base-Base interactions energy: -5.060 where: short stacking energy: -5.060 Base-Backbone interact. energy: -0.272 local terms energy: -25.638998 where: bonds (distance) C4'-P energy: -5.979 bonds (distance) P-C4' energy: -5.377 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -33.845740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845740 (E_RNA) where: Base-Base interactions energy: -5.726 where: short stacking energy: -3.557 Base-Backbone interact. energy: -0.155 local terms energy: -27.964908 where: bonds (distance) C4'-P energy: -5.532 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -0.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -37.132352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.132352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.132352 (E_RNA) where: Base-Base interactions energy: -12.508 where: short stacking energy: -12.508 Base-Backbone interact. energy: -0.010 local terms energy: -24.614326 where: bonds (distance) C4'-P energy: -6.815 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -0.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -30.659760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.659760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.659760 (E_RNA) where: Base-Base interactions energy: -5.605 where: short stacking energy: -5.605 Base-Backbone interact. energy: -0.091 local terms energy: -24.964225 where: bonds (distance) C4'-P energy: -7.254 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -4.578 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: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -28.956730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.956730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.956730 (E_RNA) where: Base-Base interactions energy: -5.585 where: short stacking energy: -5.585 Base-Backbone interact. energy: -0.002 local terms energy: -23.370004 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -0.803 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: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -47.307459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.307459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.307459 (E_RNA) where: Base-Base interactions energy: -14.970 where: short stacking energy: -14.970 Base-Backbone interact. energy: -0.001 local terms energy: -32.336621 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.822 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -4.527 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: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -40.344852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.344852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.344852 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.008 local terms energy: -26.477129 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -44.163491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.163491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.163491 (E_RNA) where: Base-Base interactions energy: -12.871 where: short stacking energy: -12.871 Base-Backbone interact. energy: -0.006 local terms energy: -31.286926 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -4.886 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: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -37.453069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.453069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.453069 (E_RNA) where: Base-Base interactions energy: -10.506 where: short stacking energy: -10.506 Base-Backbone interact. energy: -0.029 local terms energy: -26.918004 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -6.895 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -2.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -35.223736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.223736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.223736 (E_RNA) where: Base-Base interactions energy: -8.951 where: short stacking energy: -8.951 Base-Backbone interact. energy: -0.359 local terms energy: -25.913594 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -5.404 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: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -40.004057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.004057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.004057 (E_RNA) where: Base-Base interactions energy: -10.325 where: short stacking energy: -10.325 Base-Backbone interact. energy: -0.028 local terms energy: -29.651710 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -3.895 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -6.640 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: 7, replica: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -29.753981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.753981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.753981 (E_RNA) where: Base-Base interactions energy: -3.224 where: short stacking energy: -3.224 Base-Backbone interact. energy: -0.025 local terms energy: -26.504658 where: bonds (distance) C4'-P energy: -4.485 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -32.339795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.339795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.339795 (E_RNA) where: Base-Base interactions energy: -6.272 where: short stacking energy: -6.272 Base-Backbone interact. energy: -0.068 local terms energy: -25.998856 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: 0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -34.307869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.307869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.307869 (E_RNA) where: Base-Base interactions energy: -6.698 where: short stacking energy: -6.698 Base-Backbone interact. energy: 0.007 local terms energy: -27.616156 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -5.924 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -3.691 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: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -30.016202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.016202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.016202 (E_RNA) where: Base-Base interactions energy: -3.945 where: short stacking energy: -3.945 Base-Backbone interact. energy: -0.094 local terms energy: -25.977103 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -0.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -51.807002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.807002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.807002 (E_RNA) where: Base-Base interactions energy: -17.984 where: short stacking energy: -17.984 Base-Backbone interact. energy: -0.009 local terms energy: -33.813708 where: bonds (distance) C4'-P energy: -6.865 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -5.871 tors. eta vs tors. theta energy: -6.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -42.476994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.476994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.476994 (E_RNA) where: Base-Base interactions energy: -14.158 where: short stacking energy: -14.158 Base-Backbone interact. energy: -0.000 local terms energy: -28.319200 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -5.132 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -4.717 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: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -40.597121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.597121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.597121 (E_RNA) where: Base-Base interactions energy: -9.723 where: short stacking energy: -9.723 Base-Backbone interact. energy: -0.006 local terms energy: -30.867853 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -5.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -46.392927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.392927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.392927 (E_RNA) where: Base-Base interactions energy: -18.056 where: short stacking energy: -18.056 Base-Backbone interact. energy: -0.000 local terms energy: -28.336654 where: bonds (distance) C4'-P energy: -5.561 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -38.750758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.750758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.750758 (E_RNA) where: Base-Base interactions energy: -11.508 where: short stacking energy: -10.678 Base-Backbone interact. energy: -0.070 local terms energy: -27.172646 where: bonds (distance) C4'-P energy: -4.467 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -5.686 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: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -36.793184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.793184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.793184 (E_RNA) where: Base-Base interactions energy: -12.215 where: short stacking energy: -12.215 Base-Backbone interact. energy: -0.002 local terms energy: -24.576362 where: bonds (distance) C4'-P energy: -5.656 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -29.980515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.980515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.980515 (E_RNA) where: Base-Base interactions energy: -8.446 where: short stacking energy: -8.446 Base-Backbone interact. energy: -0.074 local terms energy: -21.460921 where: bonds (distance) C4'-P energy: -4.737 bonds (distance) P-C4' energy: -5.411 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -3.195 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: 8, replica: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -39.388456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.388456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.388456 (E_RNA) where: Base-Base interactions energy: -10.276 where: short stacking energy: -10.276 Base-Backbone interact. energy: -0.004 local terms energy: -29.108124 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -4.520 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: 9, replica: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -33.681997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.681997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.681997 (E_RNA) where: Base-Base interactions energy: -8.940 where: short stacking energy: -8.940 Base-Backbone interact. energy: -0.085 local terms energy: -24.657545 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -8.144 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.684 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: 10, replica: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -29.440772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.440772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.440772 (E_RNA) where: Base-Base interactions energy: -2.757 where: short stacking energy: -2.757 Base-Backbone interact. energy: 0.221 local terms energy: -26.904574 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -4.214 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: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -56.100482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.100482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.100482 (E_RNA) where: Base-Base interactions energy: -22.159 where: short stacking energy: -16.744 Base-Backbone interact. energy: -0.000 local terms energy: -33.940853 where: bonds (distance) C4'-P energy: -6.820 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -6.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -41.017471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.017471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.017471 (E_RNA) where: Base-Base interactions energy: -13.269 where: short stacking energy: -13.269 Base-Backbone interact. energy: -0.123 local terms energy: -27.625119 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -3.216 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: 3, replica: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -34.225466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.225466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.225466 (E_RNA) where: Base-Base interactions energy: -8.141 where: short stacking energy: -8.141 Base-Backbone interact. energy: -0.090 local terms energy: -25.993955 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -4.362 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: 2 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -38.734313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.734313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.734313 (E_RNA) where: Base-Base interactions energy: -10.454 where: short stacking energy: -10.454 Base-Backbone interact. energy: -0.001 local terms energy: -28.279790 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -5.731 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -36.265141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.265141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.265141 (E_RNA) where: Base-Base interactions energy: -10.437 where: short stacking energy: -10.437 Base-Backbone interact. energy: -0.122 local terms energy: -25.706844 where: bonds (distance) C4'-P energy: -5.979 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -5.074 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: 6, replica: 10 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -37.468149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.468149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.468149 (E_RNA) where: Base-Base interactions energy: -11.525 where: short stacking energy: -11.525 Base-Backbone interact. energy: -0.009 local terms energy: -25.934635 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -2.062 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -33.427404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.427404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.427404 (E_RNA) where: Base-Base interactions energy: -9.647 where: short stacking energy: -6.143 Base-Backbone interact. energy: -0.022 local terms energy: -23.758481 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -6.375 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -2.075 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: 8, replica: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -39.998252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.998252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.998252 (E_RNA) where: Base-Base interactions energy: -13.938 where: short stacking energy: -13.938 Base-Backbone interact. energy: -0.088 local terms energy: -25.972992 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -2.926 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: 240 Temperature: 1.300000 Total energy: -33.695090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.695090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.695090 (E_RNA) where: Base-Base interactions energy: -5.046 where: short stacking energy: -6.446 Base-Backbone interact. energy: -0.086 local terms energy: -28.562969 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -33.019897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.019897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.019897 (E_RNA) where: Base-Base interactions energy: -8.241 where: short stacking energy: -8.241 Base-Backbone interact. energy: -0.072 local terms energy: -24.707658 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -7.454 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -5.426 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: 1, replica: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -50.916229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.916229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.916229 (E_RNA) where: Base-Base interactions energy: -16.524 where: short stacking energy: -16.523 Base-Backbone interact. energy: -0.745 local terms energy: -33.647403 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -44.340931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.340931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.340931 (E_RNA) where: Base-Base interactions energy: -13.637 where: short stacking energy: -13.637 Base-Backbone interact. energy: -0.097 local terms energy: -30.606170 where: bonds (distance) C4'-P energy: -6.820 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -3.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -43.113031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.113031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.113031 (E_RNA) where: Base-Base interactions energy: -15.520 where: short stacking energy: -15.520 Base-Backbone interact. energy: 0.662 local terms energy: -28.254859 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -40.388226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.388226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.388226 (E_RNA) where: Base-Base interactions energy: -11.032 where: short stacking energy: -11.032 Base-Backbone interact. energy: -0.010 local terms energy: -29.346290 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -5.299 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: 241 Temperature: 1.100000 Total energy: -37.041269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.041269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.041269 (E_RNA) where: Base-Base interactions energy: -12.020 where: short stacking energy: -12.297 Base-Backbone interact. energy: -0.005 local terms energy: -25.016689 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -0.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -33.132140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.132140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.132140 (E_RNA) where: Base-Base interactions energy: -6.068 where: short stacking energy: -6.068 Base-Backbone interact. energy: -0.000 local terms energy: -27.063534 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -36.731266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.731266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.731266 (E_RNA) where: Base-Base interactions energy: -10.125 where: short stacking energy: -10.125 Base-Backbone interact. energy: -0.037 local terms energy: -26.569610 where: bonds (distance) C4'-P energy: -3.785 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -32.374752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.374752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.374752 (E_RNA) where: Base-Base interactions energy: -7.589 where: short stacking energy: -6.522 Base-Backbone interact. energy: -0.038 local terms energy: -24.747633 where: bonds (distance) C4'-P energy: -5.850 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.667 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: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -33.661612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.661612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.661612 (E_RNA) where: Base-Base interactions energy: -11.903 where: short stacking energy: -11.176 Base-Backbone interact. energy: 0.162 local terms energy: -21.920747 where: bonds (distance) C4'-P energy: -5.205 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -1.185 tors. eta vs tors. theta energy: -1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -29.911621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.911621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.911621 (E_RNA) where: Base-Base interactions energy: -3.632 where: short stacking energy: -3.632 Base-Backbone interact. energy: -0.085 local terms energy: -26.194684 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -2.664 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -44.621841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.621841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.621841 (E_RNA) where: Base-Base interactions energy: -17.286 where: short stacking energy: -14.597 Base-Backbone interact. energy: -0.177 local terms energy: -27.159371 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.258 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -5.268 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: 2, replica: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -51.360841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.360841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.360841 (E_RNA) where: Base-Base interactions energy: -21.079 where: short stacking energy: -21.079 Base-Backbone interact. energy: -0.000 local terms energy: -30.281717 where: bonds (distance) C4'-P energy: -5.843 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -1.708 tors. eta vs tors. theta energy: -6.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -45.014536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.014536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.014536 (E_RNA) where: Base-Base interactions energy: -13.648 where: short stacking energy: -13.648 Base-Backbone interact. energy: -0.038 local terms energy: -31.328374 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -38.401224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.401224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.401224 (E_RNA) where: Base-Base interactions energy: -10.532 where: short stacking energy: -10.532 Base-Backbone interact. energy: -0.092 local terms energy: -27.777288 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -2.249 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -41.235617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.235617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.235617 (E_RNA) where: Base-Base interactions energy: -12.360 where: short stacking energy: -12.360 Base-Backbone interact. energy: -0.147 local terms energy: -28.728445 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -2.035 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -32.326864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.326864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.326864 (E_RNA) where: Base-Base interactions energy: -8.186 where: short stacking energy: -8.186 Base-Backbone interact. energy: -0.119 local terms energy: -24.021704 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.594 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: 1 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -35.927532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.927532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.927532 (E_RNA) where: Base-Base interactions energy: -7.094 where: short stacking energy: -7.094 Base-Backbone interact. energy: -0.000 local terms energy: -28.833586 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -7.376 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -35.811600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.811600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.811600 (E_RNA) where: Base-Base interactions energy: -9.053 where: short stacking energy: -9.053 Base-Backbone interact. energy: -0.075 local terms energy: -26.683913 where: bonds (distance) C4'-P energy: -7.346 bonds (distance) P-C4' energy: -6.604 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -5.535 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -34.320865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.320865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.320865 (E_RNA) where: Base-Base interactions energy: -8.597 where: short stacking energy: -8.597 Base-Backbone interact. energy: -0.075 local terms energy: -25.648739 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -3.696 flat angles P-C4'-P energy: -5.258 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: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -31.732056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.732056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.732056 (E_RNA) where: Base-Base interactions energy: -7.129 where: short stacking energy: -7.129 Base-Backbone interact. energy: -0.017 local terms energy: -24.586149 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -40.385831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.385831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.385831 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.005 local terms energy: -30.346817 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -40.965228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.965228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.965228 (E_RNA) where: Base-Base interactions energy: -10.932 where: short stacking energy: -10.932 Base-Backbone interact. energy: -0.007 local terms energy: -30.025764 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -41.914318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.914318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.914318 (E_RNA) where: Base-Base interactions energy: -14.615 where: short stacking energy: -14.615 Base-Backbone interact. energy: -0.400 local terms energy: -26.899427 where: bonds (distance) C4'-P energy: -4.058 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.837 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: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -36.652837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.652837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.652837 (E_RNA) where: Base-Base interactions energy: -6.844 where: short stacking energy: -6.844 Base-Backbone interact. energy: -0.009 local terms energy: -29.799498 where: bonds (distance) C4'-P energy: -8.189 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -1.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -42.552031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.552031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.552031 (E_RNA) where: Base-Base interactions energy: -13.375 where: short stacking energy: -13.375 Base-Backbone interact. energy: -0.000 local terms energy: -29.177352 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -5.176 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: 6, replica: 2 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -34.331594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.331594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.331594 (E_RNA) where: Base-Base interactions energy: -9.973 where: short stacking energy: -9.973 Base-Backbone interact. energy: -0.095 local terms energy: -24.264274 where: bonds (distance) C4'-P energy: -5.081 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -4.172 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: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -33.569690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.569690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.569690 (E_RNA) where: Base-Base interactions energy: -10.669 where: short stacking energy: -10.669 Base-Backbone interact. energy: -0.000 local terms energy: -22.900412 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -4.774 flat angles C4'-P-C4' energy: -3.378 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -4.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -30.381514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.381514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.381514 (E_RNA) where: Base-Base interactions energy: -6.186 where: short stacking energy: -6.186 Base-Backbone interact. energy: -0.041 local terms energy: -24.154641 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: 0.083 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: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -38.952386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.952386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.952386 (E_RNA) where: Base-Base interactions energy: -12.308 where: short stacking energy: -12.308 Base-Backbone interact. energy: -0.105 local terms energy: -26.539850 where: bonds (distance) C4'-P energy: -0.648 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -4.941 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: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -28.824468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.824468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.824468 (E_RNA) where: Base-Base interactions energy: -5.100 where: short stacking energy: -5.060 Base-Backbone interact. energy: -0.091 local terms energy: -23.633339 where: bonds (distance) C4'-P energy: -6.579 bonds (distance) P-C4' energy: -5.071 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: 0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -53.522964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.522964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.522964 (E_RNA) where: Base-Base interactions energy: -19.353 where: short stacking energy: -19.353 Base-Backbone interact. energy: -0.002 local terms energy: -34.168472 where: bonds (distance) C4'-P energy: -5.019 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -6.579 tors. eta vs tors. theta energy: -6.125 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: 244 Temperature: 0.950000 Total energy: -45.242604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.242604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.242604 (E_RNA) where: Base-Base interactions energy: -12.795 where: short stacking energy: -12.795 Base-Backbone interact. energy: -0.010 local terms energy: -32.437089 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -6.597 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: 3, replica: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -35.444648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.444648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.444648 (E_RNA) where: Base-Base interactions energy: -7.886 where: short stacking energy: -7.886 Base-Backbone interact. energy: -0.002 local terms energy: -27.556789 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -5.812 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: 4, replica: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -40.915005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.915005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.915005 (E_RNA) where: Base-Base interactions energy: -13.775 where: short stacking energy: -13.775 Base-Backbone interact. energy: -0.001 local terms energy: -27.139021 where: bonds (distance) C4'-P energy: -3.927 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -5.305 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: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -36.375064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.375064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.375064 (E_RNA) where: Base-Base interactions energy: -10.416 where: short stacking energy: -7.630 Base-Backbone interact. energy: -0.236 local terms energy: -25.723308 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -7.445 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -33.764320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.764320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.764320 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.819 Base-Backbone interact. energy: -0.012 local terms energy: -26.920221 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -35.490020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.490020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.490020 (E_RNA) where: Base-Base interactions energy: -8.507 where: short stacking energy: -8.507 Base-Backbone interact. energy: -0.014 local terms energy: -26.969581 where: bonds (distance) C4'-P energy: -4.483 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.015 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -31.633846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.633846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.633846 (E_RNA) where: Base-Base interactions energy: -6.228 where: short stacking energy: -6.228 Base-Backbone interact. energy: -0.022 local terms energy: -25.384129 where: bonds (distance) C4'-P energy: -6.637 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -33.241895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.241895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.241895 (E_RNA) where: Base-Base interactions energy: -5.827 where: short stacking energy: -5.827 Base-Backbone interact. energy: -0.103 local terms energy: -27.311849 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -30.035290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.035290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.035290 (E_RNA) where: Base-Base interactions energy: -10.053 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.270 local terms energy: -19.711985 where: bonds (distance) C4'-P energy: -4.443 bonds (distance) P-C4' energy: -7.546 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -51.099992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.099992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.099992 (E_RNA) where: Base-Base interactions energy: -16.025 where: short stacking energy: -16.025 Base-Backbone interact. energy: -0.000 local terms energy: -35.074561 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -39.413936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.413936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.413936 (E_RNA) where: Base-Base interactions energy: -14.748 where: short stacking energy: -10.123 Base-Backbone interact. energy: -0.026 local terms energy: -24.639701 where: bonds (distance) C4'-P energy: -5.656 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -5.626 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: 6 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -37.647228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.647228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.647228 (E_RNA) where: Base-Base interactions energy: -9.844 where: short stacking energy: -10.321 Base-Backbone interact. energy: -0.003 local terms energy: -27.800210 where: bonds (distance) C4'-P energy: -5.702 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -37.381033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.381033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.381033 (E_RNA) where: Base-Base interactions energy: -6.933 where: short stacking energy: -6.933 Base-Backbone interact. energy: -0.017 local terms energy: -30.431192 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -4.424 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: 5, replica: 9 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -36.759741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.759741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.759741 (E_RNA) where: Base-Base interactions energy: -10.119 where: short stacking energy: -10.119 Base-Backbone interact. energy: -0.082 local terms energy: -26.558353 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -3.699 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: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -40.781275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.781275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.781275 (E_RNA) where: Base-Base interactions energy: -14.204 where: short stacking energy: -14.204 Base-Backbone interact. energy: -0.124 local terms energy: -26.453372 where: bonds (distance) C4'-P energy: -6.236 bonds (distance) P-C4' energy: -6.979 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -2.891 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: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -32.777172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.777172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.777172 (E_RNA) where: Base-Base interactions energy: -5.784 where: short stacking energy: -5.784 Base-Backbone interact. energy: 0.985 local terms energy: -27.977638 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -0.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -33.099907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.099907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.099907 (E_RNA) where: Base-Base interactions energy: -9.733 where: short stacking energy: -9.733 Base-Backbone interact. energy: -0.234 local terms energy: -23.132806 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: 1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -31.823538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.823538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.823538 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.057 local terms energy: -23.744227 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -30.371236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.371236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.371236 (E_RNA) where: Base-Base interactions energy: -5.795 where: short stacking energy: -5.795 Base-Backbone interact. energy: -0.043 local terms energy: -24.533327 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.507 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: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -47.102010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.102010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.102010 (E_RNA) where: Base-Base interactions energy: -17.943 where: short stacking energy: -17.943 Base-Backbone interact. energy: -0.014 local terms energy: -29.144754 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -6.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -46.571151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.571151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.571151 (E_RNA) where: Base-Base interactions energy: -13.045 where: short stacking energy: -13.045 Base-Backbone interact. energy: -0.001 local terms energy: -33.524874 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -7.461 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: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -40.909812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.909812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.909812 (E_RNA) where: Base-Base interactions energy: -13.500 where: short stacking energy: -13.500 Base-Backbone interact. energy: -0.004 local terms energy: -27.406232 where: bonds (distance) C4'-P energy: -5.019 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -4.518 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -4.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -33.380023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.380023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.380023 (E_RNA) where: Base-Base interactions energy: -9.593 where: short stacking energy: -9.593 Base-Backbone interact. energy: -0.083 local terms energy: -23.703725 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -5.249 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: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -36.253574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.253574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.253574 (E_RNA) where: Base-Base interactions energy: -11.191 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.073 local terms energy: -24.989717 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -1.582 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -43.657577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.657577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.657577 (E_RNA) where: Base-Base interactions energy: -15.157 where: short stacking energy: -15.157 Base-Backbone interact. energy: -0.056 local terms energy: -28.444464 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.439 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -2.239 tors. eta vs tors. theta energy: -5.949 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: 7, replica: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -38.042031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.042031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.042031 (E_RNA) where: Base-Base interactions energy: -13.490 where: short stacking energy: -12.268 Base-Backbone interact. energy: -0.002 local terms energy: -24.549579 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -1.922 flat angles P-C4'-P energy: -5.233 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: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -34.971217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.971217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.971217 (E_RNA) where: Base-Base interactions energy: -7.597 where: short stacking energy: -7.597 Base-Backbone interact. energy: -0.008 local terms energy: -27.366283 where: bonds (distance) C4'-P energy: -7.457 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -5.172 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: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -34.621419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.621419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.621419 (E_RNA) where: Base-Base interactions energy: -8.092 where: short stacking energy: -8.092 Base-Backbone interact. energy: -0.057 local terms energy: -26.472526 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -4.429 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: 10, replica: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -33.013619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.013619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.013619 (E_RNA) where: Base-Base interactions energy: -7.436 where: short stacking energy: -7.436 Base-Backbone interact. energy: -0.018 local terms energy: -25.560143 where: bonds (distance) C4'-P energy: -6.298 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -1.377 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: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -48.469614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.469614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.469614 (E_RNA) where: Base-Base interactions energy: -16.013 where: short stacking energy: -16.013 Base-Backbone interact. energy: -0.146 local terms energy: -32.311003 where: bonds (distance) C4'-P energy: -5.926 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -5.916 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: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -39.834964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.834964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.834964 (E_RNA) where: Base-Base interactions energy: -11.630 where: short stacking energy: -11.630 Base-Backbone interact. energy: -0.046 local terms energy: -28.158983 where: bonds (distance) C4'-P energy: -6.207 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -38.066249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.066249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.066249 (E_RNA) where: Base-Base interactions energy: -10.421 where: short stacking energy: -10.421 Base-Backbone interact. energy: -0.082 local terms energy: -27.562928 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -46.185149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.185149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.185149 (E_RNA) where: Base-Base interactions energy: -15.516 where: short stacking energy: -15.516 Base-Backbone interact. energy: -0.001 local terms energy: -30.668182 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -7.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -43.486775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.486775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.486775 (E_RNA) where: Base-Base interactions energy: -15.420 where: short stacking energy: -15.420 Base-Backbone interact. energy: -0.048 local terms energy: -28.018866 where: bonds (distance) C4'-P energy: -6.960 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -39.474077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.474077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.474077 (E_RNA) where: Base-Base interactions energy: -14.345 where: short stacking energy: -11.648 Base-Backbone interact. energy: -0.003 local terms energy: -25.126756 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -5.347 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -4.489 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: 7, replica: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -37.728678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.728678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.728678 (E_RNA) where: Base-Base interactions energy: -12.251 where: short stacking energy: -12.251 Base-Backbone interact. energy: -0.011 local terms energy: -25.467180 where: bonds (distance) C4'-P energy: -6.401 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -37.314555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.314555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.314555 (E_RNA) where: Base-Base interactions energy: -7.621 where: short stacking energy: -7.621 Base-Backbone interact. energy: -0.002 local terms energy: -29.691659 where: bonds (distance) C4'-P energy: -4.398 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -4.343 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: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -29.765478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.765478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.765478 (E_RNA) where: Base-Base interactions energy: -6.702 where: short stacking energy: -6.702 Base-Backbone interact. energy: 1.315 local terms energy: -24.378255 where: bonds (distance) C4'-P energy: -6.339 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -3.212 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: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -32.760227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.760227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.760227 (E_RNA) where: Base-Base interactions energy: -7.504 where: short stacking energy: -7.504 Base-Backbone interact. energy: -0.152 local terms energy: -25.103587 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -45.815798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.815798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.815798 (E_RNA) where: Base-Base interactions energy: -13.994 where: short stacking energy: -13.994 Base-Backbone interact. energy: -0.000 local terms energy: -31.821581 where: bonds (distance) C4'-P energy: -7.788 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -44.659721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.659721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.659721 (E_RNA) where: Base-Base interactions energy: -16.133 where: short stacking energy: -16.133 Base-Backbone interact. energy: -0.120 local terms energy: -28.407474 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -5.544 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: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -40.964346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.964346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.964346 (E_RNA) where: Base-Base interactions energy: -12.768 where: short stacking energy: -12.768 Base-Backbone interact. energy: -0.199 local terms energy: -27.997491 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -4.638 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: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -40.430440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.430440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.430440 (E_RNA) where: Base-Base interactions energy: -12.485 where: short stacking energy: -11.526 Base-Backbone interact. energy: -0.187 local terms energy: -27.758477 where: bonds (distance) C4'-P energy: -5.648 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -4.932 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: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -39.246983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.246983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.246983 (E_RNA) where: Base-Base interactions energy: -10.741 where: short stacking energy: -9.142 Base-Backbone interact. energy: -0.063 local terms energy: -28.443081 where: bonds (distance) C4'-P energy: -5.470 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -37.409120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.409120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.409120 (E_RNA) where: Base-Base interactions energy: -10.677 where: short stacking energy: -10.677 Base-Backbone interact. energy: -0.001 local terms energy: -26.730303 where: bonds (distance) C4'-P energy: -6.563 bonds (distance) P-C4' energy: -3.698 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -5.167 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: 7, replica: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -33.714952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.714952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.714952 (E_RNA) where: Base-Base interactions energy: -6.224 where: short stacking energy: -6.224 Base-Backbone interact. energy: -0.024 local terms energy: -27.467222 where: bonds (distance) C4'-P energy: -6.244 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -30.411515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.411515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.411515 (E_RNA) where: Base-Base interactions energy: -6.880 where: short stacking energy: -6.880 Base-Backbone interact. energy: -0.038 local terms energy: -23.494120 where: bonds (distance) C4'-P energy: -6.473 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.096 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: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -31.770228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.770228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.770228 (E_RNA) where: Base-Base interactions energy: -8.224 where: short stacking energy: -8.224 Base-Backbone interact. energy: 1.350 local terms energy: -24.896335 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -2.113 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -31.988393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.988393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.988393 (E_RNA) where: Base-Base interactions energy: -5.469 where: short stacking energy: -5.469 Base-Backbone interact. energy: -0.945 local terms energy: -25.574155 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -4.777 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -5.884 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: 1, replica: 2 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -43.301419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.301419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.301419 (E_RNA) where: Base-Base interactions energy: -12.656 where: short stacking energy: -12.656 Base-Backbone interact. energy: -0.004 local terms energy: -30.641222 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -4.338 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: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -44.945688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.945688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.945688 (E_RNA) where: Base-Base interactions energy: -12.910 where: short stacking energy: -11.395 Base-Backbone interact. energy: -0.037 local terms energy: -31.998929 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -5.453 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: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -43.962804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.962804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.962804 (E_RNA) where: Base-Base interactions energy: -11.821 where: short stacking energy: -11.821 Base-Backbone interact. energy: -0.001 local terms energy: -32.140975 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -37.525587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.525587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.525587 (E_RNA) where: Base-Base interactions energy: -7.462 where: short stacking energy: -7.462 Base-Backbone interact. energy: -0.011 local terms energy: -30.052989 where: bonds (distance) C4'-P energy: -5.743 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -7.017 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -42.737134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.737134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.737134 (E_RNA) where: Base-Base interactions energy: -10.493 where: short stacking energy: -10.493 Base-Backbone interact. energy: -0.000 local terms energy: -32.244445 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -6.163 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: 6, replica: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -35.412812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.412812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.412812 (E_RNA) where: Base-Base interactions energy: -8.258 where: short stacking energy: -8.258 Base-Backbone interact. energy: -0.005 local terms energy: -27.149968 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -6.753 tors. eta vs tors. theta energy: -0.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -43.482543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.482543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.482543 (E_RNA) where: Base-Base interactions energy: -13.026 where: short stacking energy: -12.127 Base-Backbone interact. energy: -0.621 local terms energy: -29.836375 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -2.522 tors. eta vs tors. theta energy: -6.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -34.004138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.004138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.004138 (E_RNA) where: Base-Base interactions energy: -7.116 where: short stacking energy: -7.216 Base-Backbone interact. energy: -0.443 local terms energy: -26.445977 where: bonds (distance) C4'-P energy: -6.935 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -6.507 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: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -30.621458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.621458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.621458 (E_RNA) where: Base-Base interactions energy: -7.188 where: short stacking energy: -7.188 Base-Backbone interact. energy: -0.043 local terms energy: -23.390791 where: bonds (distance) C4'-P energy: -5.524 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -2.933 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: 10, replica: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -30.648247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.648247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.648247 (E_RNA) where: Base-Base interactions energy: -4.164 where: short stacking energy: -4.164 Base-Backbone interact. energy: -0.000 local terms energy: -26.484122 where: bonds (distance) C4'-P energy: -5.921 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -5.028 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: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -49.038936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.038936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.038936 (E_RNA) where: Base-Base interactions energy: -18.108 where: short stacking energy: -18.108 Base-Backbone interact. energy: -0.021 local terms energy: -30.909599 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -35.146589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.146589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.146589 (E_RNA) where: Base-Base interactions energy: -8.724 where: short stacking energy: -7.905 Base-Backbone interact. energy: -0.059 local terms energy: -26.363544 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -39.925228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.925228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.925228 (E_RNA) where: Base-Base interactions energy: -9.701 where: short stacking energy: -9.701 Base-Backbone interact. energy: -0.077 local terms energy: -30.147138 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -44.507006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.507006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.507006 (E_RNA) where: Base-Base interactions energy: -15.482 where: short stacking energy: -15.482 Base-Backbone interact. energy: -0.008 local terms energy: -29.017578 where: bonds (distance) C4'-P energy: -6.493 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -4.088 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: 5, replica: 10 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -34.966603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.966603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.966603 (E_RNA) where: Base-Base interactions energy: -6.623 where: short stacking energy: -6.623 Base-Backbone interact. energy: -0.180 local terms energy: -28.163172 where: bonds (distance) C4'-P energy: -6.476 bonds (distance) P-C4' energy: -7.116 flat angles C4'-P-C4' energy: -7.775 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -38.048592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.048592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.048592 (E_RNA) where: Base-Base interactions energy: -11.156 where: short stacking energy: -11.156 Base-Backbone interact. energy: -0.019 local terms energy: -26.873589 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -6.178 flat angles C4'-P-C4' energy: -7.821 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -33.534646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.534646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.534646 (E_RNA) where: Base-Base interactions energy: -4.250 where: short stacking energy: -4.250 Base-Backbone interact. energy: -0.083 local terms energy: -29.201087 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -5.679 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: 8, replica: 6 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -33.491757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.491757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.491757 (E_RNA) where: Base-Base interactions energy: -8.056 where: short stacking energy: -7.266 Base-Backbone interact. energy: 0.379 local terms energy: -25.815328 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -4.117 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: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -32.632251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.632251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.632251 (E_RNA) where: Base-Base interactions energy: -4.214 where: short stacking energy: -4.214 Base-Backbone interact. energy: -0.202 local terms energy: -28.216491 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -34.408546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.408546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.408546 (E_RNA) where: Base-Base interactions energy: -7.559 where: short stacking energy: -7.559 Base-Backbone interact. energy: -0.000 local terms energy: -26.849428 where: bonds (distance) C4'-P energy: -5.586 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -43.896341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.896341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.896341 (E_RNA) where: Base-Base interactions energy: -13.178 where: short stacking energy: -13.178 Base-Backbone interact. energy: -0.042 local terms energy: -30.675656 where: bonds (distance) C4'-P energy: -6.517 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -7.530 flat angles P-C4'-P energy: -4.855 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: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -48.612858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.612858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.612858 (E_RNA) where: Base-Base interactions energy: -13.087 where: short stacking energy: -13.087 Base-Backbone interact. energy: 1.017 local terms energy: -36.542512 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -6.839 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: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -35.224584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.224584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.224584 (E_RNA) where: Base-Base interactions energy: -6.442 where: short stacking energy: -5.442 Base-Backbone interact. energy: -0.177 local terms energy: -28.605006 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -5.331 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: 4, replica: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -35.949395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.949395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.949395 (E_RNA) where: Base-Base interactions energy: -6.328 where: short stacking energy: -6.328 Base-Backbone interact. energy: -0.007 local terms energy: -29.613813 where: bonds (distance) C4'-P energy: -6.287 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -4.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -38.517464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.517464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.517464 (E_RNA) where: Base-Base interactions energy: -9.486 where: short stacking energy: -9.486 Base-Backbone interact. energy: -0.000 local terms energy: -29.031606 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -2.437 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: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -41.147730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.147730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.147730 (E_RNA) where: Base-Base interactions energy: -11.562 where: short stacking energy: -11.562 Base-Backbone interact. energy: -0.001 local terms energy: -29.584903 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -5.259 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: 7, replica: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -31.482042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.482042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.482042 (E_RNA) where: Base-Base interactions energy: -7.133 where: short stacking energy: -7.133 Base-Backbone interact. energy: -0.154 local terms energy: -24.195286 where: bonds (distance) C4'-P energy: -5.834 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -2.032 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: 8, replica: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -39.378660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.378660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.378660 (E_RNA) where: Base-Base interactions energy: -12.504 where: short stacking energy: -10.637 Base-Backbone interact. energy: -0.000 local terms energy: -26.874475 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -4.833 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -2.673 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: 9, replica: 6 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -33.959823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.959823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.959823 (E_RNA) where: Base-Base interactions energy: -6.039 where: short stacking energy: -6.039 Base-Backbone interact. energy: -0.002 local terms energy: -27.919620 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -5.168 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: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -30.319816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.319816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.319816 (E_RNA) where: Base-Base interactions energy: -3.971 where: short stacking energy: -3.971 Base-Backbone interact. energy: -0.130 local terms energy: -26.218323 where: bonds (distance) C4'-P energy: -6.430 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -8.646 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: 0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -43.594156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.594156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.594156 (E_RNA) where: Base-Base interactions energy: -9.745 where: short stacking energy: -9.745 Base-Backbone interact. energy: -0.000 local terms energy: -33.849298 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -5.685 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: 2, replica: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -43.176297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.176297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.176297 (E_RNA) where: Base-Base interactions energy: -11.661 where: short stacking energy: -10.782 Base-Backbone interact. energy: -0.805 local terms energy: -30.711013 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -3.788 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: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -37.168699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.168699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.168699 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -10.441 Base-Backbone interact. energy: -0.030 local terms energy: -25.324666 where: bonds (distance) C4'-P energy: -5.383 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -34.311898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.311898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.311898 (E_RNA) where: Base-Base interactions energy: -11.060 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.065 local terms energy: -23.187385 where: bonds (distance) C4'-P energy: -5.407 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -2.500 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: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -37.625344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.625344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.625344 (E_RNA) where: Base-Base interactions energy: -9.481 where: short stacking energy: -9.481 Base-Backbone interact. energy: -0.000 local terms energy: -28.144734 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -0.901 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -35.716772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.716772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.716772 (E_RNA) where: Base-Base interactions energy: -12.343 where: short stacking energy: -12.343 Base-Backbone interact. energy: -0.102 local terms energy: -23.271790 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -3.310 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -6.194 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: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -37.355583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.355583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.355583 (E_RNA) where: Base-Base interactions energy: -11.389 where: short stacking energy: -11.389 Base-Backbone interact. energy: -0.001 local terms energy: -25.965037 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -2.970 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -6.054 tors. eta vs tors. theta energy: -5.563 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: 4 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -44.765049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.765049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.765049 (E_RNA) where: Base-Base interactions energy: -12.663 where: short stacking energy: -12.663 Base-Backbone interact. energy: -0.044 local terms energy: -32.058176 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -5.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -35.353809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.353809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.353809 (E_RNA) where: Base-Base interactions energy: -11.462 where: short stacking energy: -9.082 Base-Backbone interact. energy: 0.265 local terms energy: -24.156224 where: bonds (distance) C4'-P energy: -4.368 bonds (distance) P-C4' energy: -7.442 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -29.102812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.102812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.102812 (E_RNA) where: Base-Base interactions energy: -5.961 where: short stacking energy: -5.961 Base-Backbone interact. energy: -0.026 local terms energy: -23.116399 where: bonds (distance) C4'-P energy: -6.243 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -5.750 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: 1, replica: 5 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -46.258817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.258817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.258817 (E_RNA) where: Base-Base interactions energy: -17.406 where: short stacking energy: -17.406 Base-Backbone interact. energy: -0.001 local terms energy: -28.852182 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -48.879384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.879384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.879384 (E_RNA) where: Base-Base interactions energy: -16.398 where: short stacking energy: -13.323 Base-Backbone interact. energy: -0.059 local terms energy: -32.423195 where: bonds (distance) C4'-P energy: -6.021 bonds (distance) P-C4' energy: -8.443 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -6.183 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: 3, replica: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -37.595453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.595453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.595453 (E_RNA) where: Base-Base interactions energy: -10.655 where: short stacking energy: -10.655 Base-Backbone interact. energy: -0.001 local terms energy: -26.939445 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -4.515 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: 4, replica: 1 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -39.162866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.162866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.162866 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -11.828 Base-Backbone interact. energy: -0.100 local terms energy: -27.234439 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -2.365 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: 5, replica: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -32.485006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.485006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.485006 (E_RNA) where: Base-Base interactions energy: -7.266 where: short stacking energy: -7.266 Base-Backbone interact. energy: -0.099 local terms energy: -25.119951 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -4.582 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: 6, replica: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -35.937967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.937967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.937967 (E_RNA) where: Base-Base interactions energy: -7.705 where: short stacking energy: -8.605 Base-Backbone interact. energy: -0.014 local terms energy: -28.218797 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -33.898131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.898131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.898131 (E_RNA) where: Base-Base interactions energy: -7.186 where: short stacking energy: -7.186 Base-Backbone interact. energy: -0.122 local terms energy: -26.590008 where: bonds (distance) C4'-P energy: -5.445 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -5.589 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: 8, replica: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -35.529557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.529557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.529557 (E_RNA) where: Base-Base interactions energy: -8.974 where: short stacking energy: -8.974 Base-Backbone interact. energy: -0.100 local terms energy: -26.455189 where: bonds (distance) C4'-P energy: -4.302 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -36.146056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.146056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.146056 (E_RNA) where: Base-Base interactions energy: -9.111 where: short stacking energy: -9.111 Base-Backbone interact. energy: -0.004 local terms energy: -27.030956 where: bonds (distance) C4'-P energy: -5.221 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -4.961 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: 10, replica: 6 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -30.308858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.308858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.308858 (E_RNA) where: Base-Base interactions energy: -7.712 where: short stacking energy: -7.712 Base-Backbone interact. energy: -0.104 local terms energy: -22.492596 where: bonds (distance) C4'-P energy: -5.457 bonds (distance) P-C4' energy: -6.859 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -5.284 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: 1, replica: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -50.978932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.978932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.978932 (E_RNA) where: Base-Base interactions energy: -19.544 where: short stacking energy: -19.544 Base-Backbone interact. energy: -0.001 local terms energy: -31.434604 where: bonds (distance) C4'-P energy: -5.197 bonds (distance) P-C4' energy: -7.454 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -5.599 tors. eta vs tors. theta energy: -6.525 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: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -51.738869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.738869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.738869 (E_RNA) where: Base-Base interactions energy: -17.427 where: short stacking energy: -17.427 Base-Backbone interact. energy: -0.079 local terms energy: -34.232759 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -5.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -39.474645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.474645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.474645 (E_RNA) where: Base-Base interactions energy: -12.851 where: short stacking energy: -10.832 Base-Backbone interact. energy: -0.008 local terms energy: -26.616214 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -42.366710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.366710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.366710 (E_RNA) where: Base-Base interactions energy: -12.313 where: short stacking energy: -12.313 Base-Backbone interact. energy: -0.039 local terms energy: -30.014662 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -2.706 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: 5, replica: 7 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -38.055845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.055845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.055845 (E_RNA) where: Base-Base interactions energy: -16.033 where: short stacking energy: -14.148 Base-Backbone interact. energy: -0.005 local terms energy: -22.017201 where: bonds (distance) C4'-P energy: -4.476 bonds (distance) P-C4' energy: -5.138 flat angles C4'-P-C4' energy: -2.678 flat angles P-C4'-P energy: -6.672 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: 6, replica: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -33.041296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.041296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.041296 (E_RNA) where: Base-Base interactions energy: -5.492 where: short stacking energy: -5.892 Base-Backbone interact. energy: -0.301 local terms energy: -27.248653 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -1.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -34.590352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.590352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.590352 (E_RNA) where: Base-Base interactions energy: -8.314 where: short stacking energy: -8.314 Base-Backbone interact. energy: -0.053 local terms energy: -26.223059 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -7.120 flat angles C4'-P-C4' energy: -4.665 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -34.441338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.441338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.441338 (E_RNA) where: Base-Base interactions energy: -5.668 where: short stacking energy: -5.668 Base-Backbone interact. energy: -0.002 local terms energy: -28.771122 where: bonds (distance) C4'-P energy: -6.153 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -30.239518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.239518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.239518 (E_RNA) where: Base-Base interactions energy: -6.122 where: short stacking energy: -6.122 Base-Backbone interact. energy: -0.043 local terms energy: -24.074695 where: bonds (distance) C4'-P energy: -6.890 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -31.904684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.904684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.904684 (E_RNA) where: Base-Base interactions energy: -8.699 where: short stacking energy: -8.699 Base-Backbone interact. energy: -0.017 local terms energy: -23.189255 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: 0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -45.155439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.155439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.155439 (E_RNA) where: Base-Base interactions energy: -14.717 where: short stacking energy: -14.717 Base-Backbone interact. energy: -0.032 local terms energy: -30.406927 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -45.841797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.841797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.841797 (E_RNA) where: Base-Base interactions energy: -14.362 where: short stacking energy: -14.362 Base-Backbone interact. energy: -0.075 local terms energy: -31.404827 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -41.051068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.051068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.051068 (E_RNA) where: Base-Base interactions energy: -13.432 where: short stacking energy: -13.432 Base-Backbone interact. energy: 0.938 local terms energy: -28.557208 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -5.377 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: 4, replica: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -39.477363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.477363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.477363 (E_RNA) where: Base-Base interactions energy: -13.502 where: short stacking energy: -6.347 Base-Backbone interact. energy: -0.001 local terms energy: -25.974333 where: bonds (distance) C4'-P energy: -7.254 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -0.921 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -32.594976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594976 (E_RNA) where: Base-Base interactions energy: -8.112 where: short stacking energy: -8.112 Base-Backbone interact. energy: -0.041 local terms energy: -24.441774 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -6.433 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -33.985947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.985947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.985947 (E_RNA) where: Base-Base interactions energy: -7.287 where: short stacking energy: -7.287 Base-Backbone interact. energy: -0.070 local terms energy: -26.629658 where: bonds (distance) C4'-P energy: -5.817 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -39.388951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.388951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.388951 (E_RNA) where: Base-Base interactions energy: -7.450 where: short stacking energy: -7.014 Base-Backbone interact. energy: -0.051 local terms energy: -31.887844 where: bonds (distance) C4'-P energy: -6.546 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -4.111 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: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -32.491753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.491753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.491753 (E_RNA) where: Base-Base interactions energy: -5.869 where: short stacking energy: -5.869 Base-Backbone interact. energy: -0.022 local terms energy: -26.600407 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -1.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -33.788540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.788540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.788540 (E_RNA) where: Base-Base interactions energy: -4.707 where: short stacking energy: -4.707 Base-Backbone interact. energy: -0.000 local terms energy: -29.081693 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: -3.508 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: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -32.231660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.231660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.231660 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.502 Base-Backbone interact. energy: -0.048 local terms energy: -24.682357 where: bonds (distance) C4'-P energy: -4.576 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -3.188 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: 1, replica: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -45.906813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.906813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.906813 (E_RNA) where: Base-Base interactions energy: -12.331 where: short stacking energy: -12.331 Base-Backbone interact. energy: -0.099 local terms energy: -33.476453 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -7.088 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: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -38.286938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.286938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.286938 (E_RNA) where: Base-Base interactions energy: -13.666 where: short stacking energy: -13.666 Base-Backbone interact. energy: -0.004 local terms energy: -24.617128 where: bonds (distance) C4'-P energy: -5.639 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -4.915 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: 3, replica: 7 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -41.241173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.241173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.241173 (E_RNA) where: Base-Base interactions energy: -15.860 where: short stacking energy: -15.860 Base-Backbone interact. energy: -0.021 local terms energy: -25.359584 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -3.161 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -37.236434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.236434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.236434 (E_RNA) where: Base-Base interactions energy: -7.289 where: short stacking energy: -7.141 Base-Backbone interact. energy: -0.000 local terms energy: -29.947528 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -5.078 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: 5, replica: 1 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -33.735185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.735185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.735185 (E_RNA) where: Base-Base interactions energy: -10.578 where: short stacking energy: -10.578 Base-Backbone interact. energy: -0.205 local terms energy: -22.952256 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -6.189 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: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -31.667923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.667923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.667923 (E_RNA) where: Base-Base interactions energy: -7.230 where: short stacking energy: -7.230 Base-Backbone interact. energy: -0.158 local terms energy: -24.280456 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -5.161 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: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -42.130969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.130969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.130969 (E_RNA) where: Base-Base interactions energy: -13.044 where: short stacking energy: -13.044 Base-Backbone interact. energy: -0.000 local terms energy: -29.086826 where: bonds (distance) C4'-P energy: -6.303 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -35.290069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.290069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.290069 (E_RNA) where: Base-Base interactions energy: -5.591 where: short stacking energy: -5.591 Base-Backbone interact. energy: -0.088 local terms energy: -29.611643 where: bonds (distance) C4'-P energy: -6.819 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -4.942 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: 9, replica: 4 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -30.275972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.275972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.275972 (E_RNA) where: Base-Base interactions energy: -7.481 where: short stacking energy: -6.625 Base-Backbone interact. energy: -0.094 local terms energy: -22.701063 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -4.863 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: 10, replica: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -25.286182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.286182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.286182 (E_RNA) where: Base-Base interactions energy: -3.460 where: short stacking energy: -3.460 Base-Backbone interact. energy: -0.152 local terms energy: -21.674371 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: 1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -40.395878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.395878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.395878 (E_RNA) where: Base-Base interactions energy: -12.751 where: short stacking energy: -12.751 Base-Backbone interact. energy: -0.001 local terms energy: -27.643597 where: bonds (distance) C4'-P energy: -4.845 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -41.453503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.453503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.453503 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.093 local terms energy: -30.009892 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -5.095 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: 3, replica: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -48.484189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.484189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.484189 (E_RNA) where: Base-Base interactions energy: -12.764 where: short stacking energy: -12.764 Base-Backbone interact. energy: -0.083 local terms energy: -35.637033 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -5.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -40.440660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.440660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.440660 (E_RNA) where: Base-Base interactions energy: -13.778 where: short stacking energy: -13.778 Base-Backbone interact. energy: -0.030 local terms energy: -26.633168 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -8.208 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -2.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -40.513297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.513297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.513297 (E_RNA) where: Base-Base interactions energy: -9.784 where: short stacking energy: -10.171 Base-Backbone interact. energy: -0.007 local terms energy: -30.721684 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -3.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -39.805376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.805376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.805376 (E_RNA) where: Base-Base interactions energy: -12.374 where: short stacking energy: -12.374 Base-Backbone interact. energy: -0.002 local terms energy: -27.428988 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -1.727 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: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -33.345701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.345701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.345701 (E_RNA) where: Base-Base interactions energy: -6.385 where: short stacking energy: -6.426 Base-Backbone interact. energy: -0.030 local terms energy: -26.930523 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.137 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -4.211 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: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -35.564606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.564606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.564606 (E_RNA) where: Base-Base interactions energy: -8.939 where: short stacking energy: -8.939 Base-Backbone interact. energy: -0.003 local terms energy: -26.621713 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -3.565 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: 9, replica: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -35.692036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.692036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.692036 (E_RNA) where: Base-Base interactions energy: -14.372 where: short stacking energy: -14.372 Base-Backbone interact. energy: -0.054 local terms energy: -21.266415 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -2.784 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -1.283 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: 10, replica: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -31.674686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.674686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.674686 (E_RNA) where: Base-Base interactions energy: -3.608 where: short stacking energy: -3.608 Base-Backbone interact. energy: -0.000 local terms energy: -28.067082 where: bonds (distance) C4'-P energy: -6.252 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -4.528 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: 1, replica: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -42.201181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.201181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.201181 (E_RNA) where: Base-Base interactions energy: -13.378 where: short stacking energy: -13.378 Base-Backbone interact. energy: -0.095 local terms energy: -28.728547 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -40.394570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.394570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.394570 (E_RNA) where: Base-Base interactions energy: -13.870 where: short stacking energy: -13.870 Base-Backbone interact. energy: -0.005 local terms energy: -26.520128 where: bonds (distance) C4'-P energy: -5.748 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -39.058950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.058950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.058950 (E_RNA) where: Base-Base interactions energy: -10.456 where: short stacking energy: -10.456 Base-Backbone interact. energy: -0.023 local terms energy: -28.579682 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -4.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -40.504338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.504338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.504338 (E_RNA) where: Base-Base interactions energy: -10.314 where: short stacking energy: -10.314 Base-Backbone interact. energy: -0.006 local terms energy: -30.183597 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -5.649 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: 5, replica: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -32.516210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.516210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.516210 (E_RNA) where: Base-Base interactions energy: -4.906 where: short stacking energy: -5.458 Base-Backbone interact. energy: -0.074 local terms energy: -27.536037 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -35.670999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.670999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.670999 (E_RNA) where: Base-Base interactions energy: -11.464 where: short stacking energy: -11.464 Base-Backbone interact. energy: -0.030 local terms energy: -24.177539 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -33.619240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.619240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.619240 (E_RNA) where: Base-Base interactions energy: -7.210 where: short stacking energy: -7.210 Base-Backbone interact. energy: -0.131 local terms energy: -26.278761 where: bonds (distance) C4'-P energy: -5.507 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -42.194075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.194075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.194075 (E_RNA) where: Base-Base interactions energy: -16.799 where: short stacking energy: -12.618 Base-Backbone interact. energy: -0.021 local terms energy: -25.373660 where: bonds (distance) C4'-P energy: -3.407 bonds (distance) P-C4' energy: -6.399 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -34.893854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.893854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.893854 (E_RNA) where: Base-Base interactions energy: -10.250 where: short stacking energy: -10.250 Base-Backbone interact. energy: -0.006 local terms energy: -24.638039 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -2.263 tors. eta vs tors. theta energy: -5.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -32.633917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.633917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.633917 (E_RNA) where: Base-Base interactions energy: -5.719 where: short stacking energy: -5.719 Base-Backbone interact. energy: -0.847 local terms energy: -26.067838 where: bonds (distance) C4'-P energy: -7.631 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -4.042 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: 1, replica: 7 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -44.823642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.823642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.823642 (E_RNA) where: Base-Base interactions energy: -12.776 where: short stacking energy: -12.776 Base-Backbone interact. energy: -0.064 local terms energy: -31.982799 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -3.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -43.020779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.020779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.020779 (E_RNA) where: Base-Base interactions energy: -12.858 where: short stacking energy: -12.858 Base-Backbone interact. energy: 0.182 local terms energy: -30.344877 where: bonds (distance) C4'-P energy: -7.858 bonds (distance) P-C4' energy: -7.911 flat angles C4'-P-C4' energy: -5.254 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -38.407584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.407584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.407584 (E_RNA) where: Base-Base interactions energy: -9.819 where: short stacking energy: -9.819 Base-Backbone interact. energy: -0.194 local terms energy: -28.394300 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -4.997 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: 4, replica: 6 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -38.647518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.647518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.647518 (E_RNA) where: Base-Base interactions energy: -7.841 where: short stacking energy: -7.910 Base-Backbone interact. energy: -0.031 local terms energy: -30.775589 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -5.894 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: 5, replica: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -40.126180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.126180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.126180 (E_RNA) where: Base-Base interactions energy: -12.405 where: short stacking energy: -11.395 Base-Backbone interact. energy: -0.699 local terms energy: -27.021997 where: bonds (distance) C4'-P energy: -3.722 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: -3.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -42.031561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.031561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.031561 (E_RNA) where: Base-Base interactions energy: -14.625 where: short stacking energy: -14.083 Base-Backbone interact. energy: -0.002 local terms energy: -27.404470 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -2.287 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: 7, replica: 5 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -33.919998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.919998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.919998 (E_RNA) where: Base-Base interactions energy: -9.022 where: short stacking energy: -9.022 Base-Backbone interact. energy: -0.010 local terms energy: -24.887563 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -5.363 flat angles C4'-P-C4' energy: -7.419 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: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -32.785814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.785814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.785814 (E_RNA) where: Base-Base interactions energy: -7.975 where: short stacking energy: -7.975 Base-Backbone interact. energy: -0.465 local terms energy: -24.345297 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -2.537 tors. eta vs tors. theta energy: -2.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -33.310492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.310492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.310492 (E_RNA) where: Base-Base interactions energy: -7.079 where: short stacking energy: -7.079 Base-Backbone interact. energy: -0.004 local terms energy: -26.228018 where: bonds (distance) C4'-P energy: -5.064 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.426 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: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -30.127514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.127514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.127514 (E_RNA) where: Base-Base interactions energy: -6.521 where: short stacking energy: -6.521 Base-Backbone interact. energy: -0.000 local terms energy: -23.606154 where: bonds (distance) C4'-P energy: -8.111 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -3.246 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: 1, replica: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -45.064164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.064164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.064164 (E_RNA) where: Base-Base interactions energy: -15.235 where: short stacking energy: -15.235 Base-Backbone interact. energy: -0.098 local terms energy: -29.731448 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -41.367517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.367517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.367517 (E_RNA) where: Base-Base interactions energy: -9.720 where: short stacking energy: -9.720 Base-Backbone interact. energy: -0.000 local terms energy: -31.647488 where: bonds (distance) C4'-P energy: -6.530 bonds (distance) P-C4' energy: -7.129 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -40.666303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.666303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.666303 (E_RNA) where: Base-Base interactions energy: -9.019 where: short stacking energy: -9.019 Base-Backbone interact. energy: -0.088 local terms energy: -31.559995 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -5.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -39.531066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.531066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.531066 (E_RNA) where: Base-Base interactions energy: -13.818 where: short stacking energy: -13.818 Base-Backbone interact. energy: -0.040 local terms energy: -25.672566 where: bonds (distance) C4'-P energy: -3.901 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -33.502382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.502382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.502382 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.048 Base-Backbone interact. energy: -0.000 local terms energy: -26.454457 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -6.936 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -6.437 tors. eta vs tors. theta energy: 1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -35.725102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.725102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.725102 (E_RNA) where: Base-Base interactions energy: -9.380 where: short stacking energy: -8.692 Base-Backbone interact. energy: -0.368 local terms energy: -25.977828 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: 0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -35.513024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.513024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.513024 (E_RNA) where: Base-Base interactions energy: -8.921 where: short stacking energy: -8.921 Base-Backbone interact. energy: -0.076 local terms energy: -26.516127 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -34.051806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.051806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.051806 (E_RNA) where: Base-Base interactions energy: -9.960 where: short stacking energy: -9.281 Base-Backbone interact. energy: -0.005 local terms energy: -24.086260 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -2.445 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: 9, replica: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -36.392727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.392727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.392727 (E_RNA) where: Base-Base interactions energy: -8.974 where: short stacking energy: -8.974 Base-Backbone interact. energy: -0.005 local terms energy: -27.413307 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -6.685 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: 10, replica: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -27.781750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.781750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.781750 (E_RNA) where: Base-Base interactions energy: -2.811 where: short stacking energy: -2.811 Base-Backbone interact. energy: -0.078 local terms energy: -24.892507 where: bonds (distance) C4'-P energy: -6.037 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -4.139 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: 1, replica: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -47.029077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.029077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.029077 (E_RNA) where: Base-Base interactions energy: -18.398 where: short stacking energy: -18.398 Base-Backbone interact. energy: -0.001 local terms energy: -28.629634 where: bonds (distance) C4'-P energy: -6.065 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -5.267 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: 2, replica: 6 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -44.516176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.516176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.516176 (E_RNA) where: Base-Base interactions energy: -13.831 where: short stacking energy: -13.831 Base-Backbone interact. energy: -0.017 local terms energy: -30.668466 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.911 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -5.892 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: 1 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -39.884619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.884619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.884619 (E_RNA) where: Base-Base interactions energy: -6.204 where: short stacking energy: -6.204 Base-Backbone interact. energy: -0.000 local terms energy: -33.680248 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -5.722 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: 4, replica: 3 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -42.541394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.541394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.541394 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -10.819 Base-Backbone interact. energy: -0.037 local terms energy: -29.454715 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.116 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -4.985 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: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -38.095452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.095452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.095452 (E_RNA) where: Base-Base interactions energy: -15.754 where: short stacking energy: -15.754 Base-Backbone interact. energy: -0.032 local terms energy: -22.309916 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -2.762 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -3.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -32.702744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.702744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.702744 (E_RNA) where: Base-Base interactions energy: -9.641 where: short stacking energy: -9.641 Base-Backbone interact. energy: -0.114 local terms energy: -22.947712 where: bonds (distance) C4'-P energy: -5.622 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -0.946 flat angles P-C4'-P energy: -6.264 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: 7, replica: 2 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -37.301165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.301165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.301165 (E_RNA) where: Base-Base interactions energy: -9.205 where: short stacking energy: -9.205 Base-Backbone interact. energy: -0.145 local terms energy: -27.951987 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -0.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -35.647859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.647859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.647859 (E_RNA) where: Base-Base interactions energy: -12.165 where: short stacking energy: -12.165 Base-Backbone interact. energy: -0.000 local terms energy: -23.483104 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -2.395 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -33.347437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.347437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.347437 (E_RNA) where: Base-Base interactions energy: -6.054 where: short stacking energy: -5.746 Base-Backbone interact. energy: -0.135 local terms energy: -27.158572 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.657 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -35.307319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.307319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.307319 (E_RNA) where: Base-Base interactions energy: -9.429 where: short stacking energy: -9.429 Base-Backbone interact. energy: -0.043 local terms energy: -25.835167 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -1.643 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -50.588497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.588497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.588497 (E_RNA) where: Base-Base interactions energy: -15.966 where: short stacking energy: -15.049 Base-Backbone interact. energy: 0.595 local terms energy: -35.217856 where: bonds (distance) C4'-P energy: -7.672 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -6.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -42.998242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.998242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.998242 (E_RNA) where: Base-Base interactions energy: -11.194 where: short stacking energy: -11.194 Base-Backbone interact. energy: -0.000 local terms energy: -31.804022 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -7.247 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: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -42.569682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.569682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.569682 (E_RNA) where: Base-Base interactions energy: -14.837 where: short stacking energy: -14.837 Base-Backbone interact. energy: -0.090 local terms energy: -27.643184 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -37.297641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.297641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.297641 (E_RNA) where: Base-Base interactions energy: -6.235 where: short stacking energy: -6.235 Base-Backbone interact. energy: -0.086 local terms energy: -30.977111 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -4.549 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: 5, replica: 9 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -39.440646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.440646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.440646 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.805 Base-Backbone interact. energy: -0.021 local terms energy: -31.614897 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -41.219033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.219033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.219033 (E_RNA) where: Base-Base interactions energy: -12.964 where: short stacking energy: -11.238 Base-Backbone interact. energy: -0.545 local terms energy: -27.709822 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -2.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -33.029705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.029705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.029705 (E_RNA) where: Base-Base interactions energy: -10.631 where: short stacking energy: -10.631 Base-Backbone interact. energy: -0.272 local terms energy: -22.126006 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -2.012 flat angles P-C4'-P energy: -2.467 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -36.575480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.575480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.575480 (E_RNA) where: Base-Base interactions energy: -11.139 where: short stacking energy: -11.139 Base-Backbone interact. energy: -0.005 local terms energy: -25.431742 where: bonds (distance) C4'-P energy: -6.058 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -3.382 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: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -30.983213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.983213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.983213 (E_RNA) where: Base-Base interactions energy: -4.818 where: short stacking energy: -4.818 Base-Backbone interact. energy: -0.012 local terms energy: -26.152743 where: bonds (distance) C4'-P energy: -7.113 bonds (distance) P-C4' energy: -8.137 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -4.023 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: 5 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -31.730694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.730694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.730694 (E_RNA) where: Base-Base interactions energy: -3.136 where: short stacking energy: -3.136 Base-Backbone interact. energy: -0.018 local terms energy: -28.576486 where: bonds (distance) C4'-P energy: -7.742 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -5.363 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: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -39.577674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.577674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.577674 (E_RNA) where: Base-Base interactions energy: -9.080 where: short stacking energy: -9.080 Base-Backbone interact. energy: -0.051 local terms energy: -30.447266 where: bonds (distance) C4'-P energy: -7.416 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -6.090 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: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -44.179498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.179498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.179498 (E_RNA) where: Base-Base interactions energy: -16.368 where: short stacking energy: -14.844 Base-Backbone interact. energy: -0.100 local terms energy: -27.711269 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -44.425369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.425369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.425369 (E_RNA) where: Base-Base interactions energy: -15.362 where: short stacking energy: -15.362 Base-Backbone interact. energy: -0.000 local terms energy: -29.062909 where: bonds (distance) C4'-P energy: -5.726 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -36.385409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.385409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.385409 (E_RNA) where: Base-Base interactions energy: -11.028 where: short stacking energy: -11.028 Base-Backbone interact. energy: -0.089 local terms energy: -25.268434 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -41.812593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.812593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.812593 (E_RNA) where: Base-Base interactions energy: -15.209 where: short stacking energy: -15.209 Base-Backbone interact. energy: -0.000 local terms energy: -26.603715 where: bonds (distance) C4'-P energy: -4.965 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -3.682 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -5.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -38.808858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.808858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.808858 (E_RNA) where: Base-Base interactions energy: -13.608 where: short stacking energy: -13.608 Base-Backbone interact. energy: -0.090 local terms energy: -25.111037 where: bonds (distance) C4'-P energy: -4.220 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -36.215930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.215930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.215930 (E_RNA) where: Base-Base interactions energy: -14.701 where: short stacking energy: -14.701 Base-Backbone interact. energy: 0.994 local terms energy: -22.508910 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -4.490 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: 8, replica: 8 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -37.795145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.795145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.795145 (E_RNA) where: Base-Base interactions energy: -8.125 where: short stacking energy: -8.125 Base-Backbone interact. energy: -0.005 local terms energy: -29.665257 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -7.129 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -4.792 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: 9, replica: 2 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -38.123037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.123037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.123037 (E_RNA) where: Base-Base interactions energy: -12.227 where: short stacking energy: -12.227 Base-Backbone interact. energy: -0.017 local terms energy: -25.878267 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -35.253145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.253145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.253145 (E_RNA) where: Base-Base interactions energy: -6.342 where: short stacking energy: -6.342 Base-Backbone interact. energy: -0.098 local terms energy: -28.813827 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -48.038477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.038477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.038477 (E_RNA) where: Base-Base interactions energy: -16.447 where: short stacking energy: -16.447 Base-Backbone interact. energy: -0.015 local terms energy: -31.576277 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -5.005 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: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -42.016348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.016348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.016348 (E_RNA) where: Base-Base interactions energy: -10.704 where: short stacking energy: -10.704 Base-Backbone interact. energy: -0.092 local terms energy: -31.220356 where: bonds (distance) C4'-P energy: -7.113 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -4.501 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: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -44.240577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.240577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.240577 (E_RNA) where: Base-Base interactions energy: -13.905 where: short stacking energy: -13.207 Base-Backbone interact. energy: -0.099 local terms energy: -30.236440 where: bonds (distance) C4'-P energy: -5.561 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -5.785 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: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -46.043772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.043772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.043772 (E_RNA) where: Base-Base interactions energy: -13.381 where: short stacking energy: -13.009 Base-Backbone interact. energy: -0.000 local terms energy: -32.662758 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -36.520518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.520518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.520518 (E_RNA) where: Base-Base interactions energy: -9.434 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.002 local terms energy: -27.084535 where: bonds (distance) C4'-P energy: -5.846 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -6.101 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: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -32.734765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.734765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.734765 (E_RNA) where: Base-Base interactions energy: -8.541 where: short stacking energy: -8.541 Base-Backbone interact. energy: -0.001 local terms energy: -24.192715 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -2.227 tors. eta vs tors. theta energy: -0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -33.160772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.160772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.160772 (E_RNA) where: Base-Base interactions energy: -7.423 where: short stacking energy: -7.423 Base-Backbone interact. energy: -0.085 local terms energy: -25.652917 where: bonds (distance) C4'-P energy: -6.198 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -38.105429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.105429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.105429 (E_RNA) where: Base-Base interactions energy: -7.834 where: short stacking energy: -7.834 Base-Backbone interact. energy: -0.000 local terms energy: -30.270984 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -5.231 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: 9, replica: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -31.283889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.283889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.283889 (E_RNA) where: Base-Base interactions energy: -5.462 where: short stacking energy: -5.462 Base-Backbone interact. energy: -0.065 local terms energy: -25.757210 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.469 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -4.993 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: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -36.045058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.045058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.045058 (E_RNA) where: Base-Base interactions energy: -8.031 where: short stacking energy: -8.031 Base-Backbone interact. energy: -0.077 local terms energy: -27.937320 where: bonds (distance) C4'-P energy: -5.238 bonds (distance) P-C4' energy: -4.795 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -42.446262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.446262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.446262 (E_RNA) where: Base-Base interactions energy: -10.534 where: short stacking energy: -10.534 Base-Backbone interact. energy: -0.015 local terms energy: -31.897136 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -3.647 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: 2, replica: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -40.336061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.336061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.336061 (E_RNA) where: Base-Base interactions energy: -7.116 where: short stacking energy: -7.116 Base-Backbone interact. energy: -0.031 local terms energy: -33.188421 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -8.154 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -40.850735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.850735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.850735 (E_RNA) where: Base-Base interactions energy: -14.212 where: short stacking energy: -14.212 Base-Backbone interact. energy: -0.684 local terms energy: -25.954481 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -45.288160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.288160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.288160 (E_RNA) where: Base-Base interactions energy: -14.300 where: short stacking energy: -14.300 Base-Backbone interact. energy: -0.000 local terms energy: -30.987867 where: bonds (distance) C4'-P energy: -6.099 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -7.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -38.032893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.032893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.032893 (E_RNA) where: Base-Base interactions energy: -9.125 where: short stacking energy: -9.125 Base-Backbone interact. energy: -0.001 local terms energy: -28.907242 where: bonds (distance) C4'-P energy: -6.844 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.192 flat angles P-C4'-P energy: -2.853 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: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -35.814499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.814499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.814499 (E_RNA) where: Base-Base interactions energy: -8.162 where: short stacking energy: -8.162 Base-Backbone interact. energy: -0.081 local terms energy: -27.571698 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -5.528 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: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -33.195455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.195455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.195455 (E_RNA) where: Base-Base interactions energy: -10.328 where: short stacking energy: -10.328 Base-Backbone interact. energy: -0.110 local terms energy: -22.756774 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -3.487 flat angles P-C4'-P energy: -5.026 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: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -36.040055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.040055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.040055 (E_RNA) where: Base-Base interactions energy: -8.698 where: short stacking energy: -8.698 Base-Backbone interact. energy: -0.027 local terms energy: -27.314943 where: bonds (distance) C4'-P energy: -4.867 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -32.570096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.570096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.570096 (E_RNA) where: Base-Base interactions energy: -12.489 where: short stacking energy: -6.570 Base-Backbone interact. energy: -0.103 local terms energy: -19.977788 where: bonds (distance) C4'-P energy: -6.691 bonds (distance) P-C4' energy: -4.648 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -3.356 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: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -31.098116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.098116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.098116 (E_RNA) where: Base-Base interactions energy: -4.858 where: short stacking energy: -4.858 Base-Backbone interact. energy: -1.183 local terms energy: -25.057430 where: bonds (distance) C4'-P energy: -4.352 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -47.214122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.214122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.214122 (E_RNA) where: Base-Base interactions energy: -18.743 where: short stacking energy: -18.743 Base-Backbone interact. energy: -0.000 local terms energy: -28.471477 where: bonds (distance) C4'-P energy: -4.745 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -5.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -36.865821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.865821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.865821 (E_RNA) where: Base-Base interactions energy: -9.032 where: short stacking energy: -9.032 Base-Backbone interact. energy: -0.063 local terms energy: -27.770724 where: bonds (distance) C4'-P energy: -6.476 bonds (distance) P-C4' energy: -7.424 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -5.091 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: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -40.642888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.642888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.642888 (E_RNA) where: Base-Base interactions energy: -10.766 where: short stacking energy: -10.766 Base-Backbone interact. energy: -0.008 local terms energy: -29.868843 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -38.159871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.159871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.159871 (E_RNA) where: Base-Base interactions energy: -9.434 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.001 local terms energy: -28.724224 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -7.663 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -1.533 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: 266 Temperature: 1.100000 Total energy: -39.251560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.251560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.251560 (E_RNA) where: Base-Base interactions energy: -12.045 where: short stacking energy: -12.045 Base-Backbone interact. energy: -0.014 local terms energy: -27.192103 where: bonds (distance) C4'-P energy: -5.552 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -5.421 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: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -34.988845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.988845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.988845 (E_RNA) where: Base-Base interactions energy: -7.281 where: short stacking energy: -7.281 Base-Backbone interact. energy: -0.091 local terms energy: -27.616831 where: bonds (distance) C4'-P energy: -6.439 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -2.757 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -36.693141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.693141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.693141 (E_RNA) where: Base-Base interactions energy: -10.488 where: short stacking energy: -10.488 Base-Backbone interact. energy: -0.203 local terms energy: -26.002375 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -5.020 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: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -29.602963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.602963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.602963 (E_RNA) where: Base-Base interactions energy: -6.829 where: short stacking energy: -6.829 Base-Backbone interact. energy: -0.189 local terms energy: -22.584684 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -3.313 flat angles P-C4'-P energy: -4.452 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: 2 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -33.401010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.401010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.401010 (E_RNA) where: Base-Base interactions energy: -6.231 where: short stacking energy: -6.231 Base-Backbone interact. energy: -0.107 local terms energy: -27.062871 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -32.721591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.721591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.721591 (E_RNA) where: Base-Base interactions energy: -8.025 where: short stacking energy: -7.644 Base-Backbone interact. energy: -0.334 local terms energy: -24.362324 where: bonds (distance) C4'-P energy: -3.732 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -0.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -45.840449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.840449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.840449 (E_RNA) where: Base-Base interactions energy: -15.897 where: short stacking energy: -15.897 Base-Backbone interact. energy: -0.000 local terms energy: -29.943215 where: bonds (distance) C4'-P energy: -7.966 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -5.105 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: 2, replica: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -37.615724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.615724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.615724 (E_RNA) where: Base-Base interactions energy: -11.910 where: short stacking energy: -11.910 Base-Backbone interact. energy: -0.006 local terms energy: -25.700085 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -50.191531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.191531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.191531 (E_RNA) where: Base-Base interactions energy: -17.847 where: short stacking energy: -17.847 Base-Backbone interact. energy: -0.012 local terms energy: -32.331743 where: bonds (distance) C4'-P energy: -6.414 bonds (distance) P-C4' energy: -6.669 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -6.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -40.099995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.099995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.099995 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -10.278 Base-Backbone interact. energy: -0.140 local terms energy: -27.232567 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -4.973 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: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -43.960500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.960500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.960500 (E_RNA) where: Base-Base interactions energy: -13.590 where: short stacking energy: -13.590 Base-Backbone interact. energy: -0.056 local terms energy: -30.314930 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -6.402 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: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -44.909805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.909805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.909805 (E_RNA) where: Base-Base interactions energy: -15.829 where: short stacking energy: -15.829 Base-Backbone interact. energy: -0.102 local terms energy: -28.978573 where: bonds (distance) C4'-P energy: -4.568 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -3.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -37.883222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.883222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.883222 (E_RNA) where: Base-Base interactions energy: -6.703 where: short stacking energy: -6.703 Base-Backbone interact. energy: -0.000 local terms energy: -31.180412 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -4.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -30.501092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.501092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.501092 (E_RNA) where: Base-Base interactions energy: -4.538 where: short stacking energy: -3.819 Base-Backbone interact. energy: -0.535 local terms energy: -25.427995 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -5.959 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: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -33.285233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.285233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.285233 (E_RNA) where: Base-Base interactions energy: -10.342 where: short stacking energy: -10.342 Base-Backbone interact. energy: -0.022 local terms energy: -22.921542 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -4.040 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: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -36.922919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.922919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.922919 (E_RNA) where: Base-Base interactions energy: -9.200 where: short stacking energy: -9.200 Base-Backbone interact. energy: -0.070 local terms energy: -27.652356 where: bonds (distance) C4'-P energy: -4.745 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -5.276 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: 1, replica: 9 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -43.469542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.469542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.469542 (E_RNA) where: Base-Base interactions energy: -15.498 where: short stacking energy: -11.681 Base-Backbone interact. energy: -0.819 local terms energy: -27.152129 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -44.402577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.402577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.402577 (E_RNA) where: Base-Base interactions energy: -14.304 where: short stacking energy: -14.304 Base-Backbone interact. energy: -0.092 local terms energy: -30.006401 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -41.546884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.546884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.546884 (E_RNA) where: Base-Base interactions energy: -14.439 where: short stacking energy: -14.007 Base-Backbone interact. energy: -0.610 local terms energy: -26.498147 where: bonds (distance) C4'-P energy: -1.909 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -6.440 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: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -36.689452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.689452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.689452 (E_RNA) where: Base-Base interactions energy: -10.556 where: short stacking energy: -10.556 Base-Backbone interact. energy: -0.005 local terms energy: -26.128046 where: bonds (distance) C4'-P energy: -5.864 bonds (distance) P-C4' energy: -4.159 flat angles C4'-P-C4' energy: -8.834 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -39.288774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.288774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.288774 (E_RNA) where: Base-Base interactions energy: -9.304 where: short stacking energy: -9.304 Base-Backbone interact. energy: -0.031 local terms energy: -29.953639 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.163 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -5.539 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: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -39.160910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.160910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.160910 (E_RNA) where: Base-Base interactions energy: -10.613 where: short stacking energy: -10.613 Base-Backbone interact. energy: -0.001 local terms energy: -28.546294 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -7.623 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -4.456 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: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -33.685260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.685260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.685260 (E_RNA) where: Base-Base interactions energy: -8.757 where: short stacking energy: -8.757 Base-Backbone interact. energy: 0.014 local terms energy: -24.942338 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -3.478 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: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -32.279789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.279789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.279789 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -6.569 Base-Backbone interact. energy: -0.099 local terms energy: -24.319979 where: bonds (distance) C4'-P energy: -4.444 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -30.277280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.277280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.277280 (E_RNA) where: Base-Base interactions energy: -7.162 where: short stacking energy: -7.162 Base-Backbone interact. energy: -0.021 local terms energy: -23.094712 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -5.962 tors. eta vs tors. theta energy: 0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -29.326876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.326876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.326876 (E_RNA) where: Base-Base interactions energy: -5.381 where: short stacking energy: -3.538 Base-Backbone interact. energy: -0.202 local terms energy: -23.744665 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -2.829 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: 1, replica: 9 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -50.365605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.365605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.365605 (E_RNA) where: Base-Base interactions energy: -16.097 where: short stacking energy: -16.097 Base-Backbone interact. energy: -1.104 local terms energy: -33.164401 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.228 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -7.200 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -45.360053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.360053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.360053 (E_RNA) where: Base-Base interactions energy: -14.864 where: short stacking energy: -14.864 Base-Backbone interact. energy: -0.102 local terms energy: -30.393815 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -50.400220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.400220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.400220 (E_RNA) where: Base-Base interactions energy: -20.111 where: short stacking energy: -17.092 Base-Backbone interact. energy: -0.111 local terms energy: -30.177971 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -5.031 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: 4, replica: 3 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -38.250601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.250601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.250601 (E_RNA) where: Base-Base interactions energy: -13.386 where: short stacking energy: -10.450 Base-Backbone interact. energy: -0.002 local terms energy: -24.862544 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -3.285 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: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -39.449185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.449185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.449185 (E_RNA) where: Base-Base interactions energy: -12.026 where: short stacking energy: -12.026 Base-Backbone interact. energy: -0.000 local terms energy: -27.422416 where: bonds (distance) C4'-P energy: -5.569 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -2.427 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: 6, replica: 2 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -34.491100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.491100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.491100 (E_RNA) where: Base-Base interactions energy: -7.616 where: short stacking energy: -7.616 Base-Backbone interact. energy: -0.014 local terms energy: -26.861425 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -4.382 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: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -39.399584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.399584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.399584 (E_RNA) where: Base-Base interactions energy: -10.844 where: short stacking energy: -10.562 Base-Backbone interact. energy: -0.012 local terms energy: -28.543103 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -4.798 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: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -32.920600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.920600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.920600 (E_RNA) where: Base-Base interactions energy: -9.004 where: short stacking energy: -7.084 Base-Backbone interact. energy: -0.642 local terms energy: -23.275226 where: bonds (distance) C4'-P energy: -3.943 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: 0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -34.885350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.885350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.885350 (E_RNA) where: Base-Base interactions energy: -5.578 where: short stacking energy: -5.578 Base-Backbone interact. energy: -0.006 local terms energy: -29.301012 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -6.211 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -33.660684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.660684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.660684 (E_RNA) where: Base-Base interactions energy: -8.417 where: short stacking energy: -8.417 Base-Backbone interact. energy: -0.026 local terms energy: -25.218047 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -2.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -47.905454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.905454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.905454 (E_RNA) where: Base-Base interactions energy: -17.590 where: short stacking energy: -15.563 Base-Backbone interact. energy: -0.016 local terms energy: -30.300209 where: bonds (distance) C4'-P energy: -6.401 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -3.818 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: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -46.022372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.022372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.022372 (E_RNA) where: Base-Base interactions energy: -12.818 where: short stacking energy: -12.818 Base-Backbone interact. energy: -0.128 local terms energy: -33.076609 where: bonds (distance) C4'-P energy: -5.486 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -5.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -38.122072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.122072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.122072 (E_RNA) where: Base-Base interactions energy: -8.062 where: short stacking energy: -8.136 Base-Backbone interact. energy: -0.005 local terms energy: -30.054701 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -3.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -35.945613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.945613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.945613 (E_RNA) where: Base-Base interactions energy: -9.404 where: short stacking energy: -9.404 Base-Backbone interact. energy: -0.261 local terms energy: -26.279803 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -6.932 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -0.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -39.073383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.073383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.073383 (E_RNA) where: Base-Base interactions energy: -10.201 where: short stacking energy: -10.201 Base-Backbone interact. energy: 0.125 local terms energy: -28.997807 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -37.728472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.728472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.728472 (E_RNA) where: Base-Base interactions energy: -13.676 where: short stacking energy: -13.676 Base-Backbone interact. energy: 0.895 local terms energy: -24.947197 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -4.804 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -32.767701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.767701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.767701 (E_RNA) where: Base-Base interactions energy: -7.018 where: short stacking energy: -7.018 Base-Backbone interact. energy: -0.028 local terms energy: -25.721366 where: bonds (distance) C4'-P energy: -4.178 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -5.226 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: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -37.137045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.137045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.137045 (E_RNA) where: Base-Base interactions energy: -11.145 where: short stacking energy: -11.145 Base-Backbone interact. energy: -0.003 local terms energy: -25.989376 where: bonds (distance) C4'-P energy: -6.171 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -3.955 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: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -34.081711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.081711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.081711 (E_RNA) where: Base-Base interactions energy: -4.275 where: short stacking energy: -4.275 Base-Backbone interact. energy: -0.059 local terms energy: -29.747832 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -6.371 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: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -35.597114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.597114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.597114 (E_RNA) where: Base-Base interactions energy: -10.664 where: short stacking energy: -10.664 Base-Backbone interact. energy: -0.001 local terms energy: -24.931707 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -3.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -45.585081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.585081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.585081 (E_RNA) where: Base-Base interactions energy: -18.852 where: short stacking energy: -18.852 Base-Backbone interact. energy: -0.074 local terms energy: -26.659219 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -2.838 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: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -43.085358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.085358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.085358 (E_RNA) where: Base-Base interactions energy: -10.419 where: short stacking energy: -10.419 Base-Backbone interact. energy: -0.124 local terms energy: -32.543084 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -38.021133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.021133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.021133 (E_RNA) where: Base-Base interactions energy: -8.618 where: short stacking energy: -7.953 Base-Backbone interact. energy: -0.976 local terms energy: -28.427366 where: bonds (distance) C4'-P energy: -6.306 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -3.281 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: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -38.523409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.523409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.523409 (E_RNA) where: Base-Base interactions energy: -8.448 where: short stacking energy: -8.424 Base-Backbone interact. energy: -0.004 local terms energy: -30.071382 where: bonds (distance) C4'-P energy: -6.243 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -6.429 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: 5, replica: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -36.246580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.246580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.246580 (E_RNA) where: Base-Base interactions energy: -8.003 where: short stacking energy: -8.003 Base-Backbone interact. energy: -0.042 local terms energy: -28.201678 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -36.666416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.666416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.666416 (E_RNA) where: Base-Base interactions energy: -13.698 where: short stacking energy: -13.698 Base-Backbone interact. energy: -0.155 local terms energy: -22.813857 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.804 flat angles C4'-P-C4' energy: -2.764 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -39.217309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.217309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.217309 (E_RNA) where: Base-Base interactions energy: -12.416 where: short stacking energy: -12.416 Base-Backbone interact. energy: -0.000 local terms energy: -26.800687 where: bonds (distance) C4'-P energy: -5.656 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -36.552786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.552786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.552786 (E_RNA) where: Base-Base interactions energy: -10.856 where: short stacking energy: -8.147 Base-Backbone interact. energy: -0.129 local terms energy: -25.568274 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -7.114 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -2.266 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: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -30.970874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.970874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.970874 (E_RNA) where: Base-Base interactions energy: -7.241 where: short stacking energy: -7.241 Base-Backbone interact. energy: -1.122 local terms energy: -22.607609 where: bonds (distance) C4'-P energy: -5.428 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -4.744 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: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -33.115961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.115961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.115961 (E_RNA) where: Base-Base interactions energy: -6.078 where: short stacking energy: -5.103 Base-Backbone interact. energy: -0.003 local terms energy: -27.034977 where: bonds (distance) C4'-P energy: -5.649 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -45.848705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.848705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.848705 (E_RNA) where: Base-Base interactions energy: -15.242 where: short stacking energy: -15.242 Base-Backbone interact. energy: -0.000 local terms energy: -30.606434 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -3.880 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: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -44.427532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.427532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.427532 (E_RNA) where: Base-Base interactions energy: -16.778 where: short stacking energy: -16.778 Base-Backbone interact. energy: -0.001 local terms energy: -27.648559 where: bonds (distance) C4'-P energy: -5.383 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -5.247 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: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -49.868578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.868578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.868578 (E_RNA) where: Base-Base interactions energy: -19.092 where: short stacking energy: -19.092 Base-Backbone interact. energy: -0.000 local terms energy: -30.776991 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -5.216 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: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -36.406939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.406939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.406939 (E_RNA) where: Base-Base interactions energy: -8.493 where: short stacking energy: -8.493 Base-Backbone interact. energy: -0.091 local terms energy: -27.823468 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -3.769 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: 5, replica: 10 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -36.269099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.269099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.269099 (E_RNA) where: Base-Base interactions energy: -8.990 where: short stacking energy: -8.990 Base-Backbone interact. energy: -0.021 local terms energy: -27.258195 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -4.069 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: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -32.345423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.345423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.345423 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.832 Base-Backbone interact. energy: -0.010 local terms energy: -25.503852 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -5.423 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: 7, replica: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -32.155971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.155971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.155971 (E_RNA) where: Base-Base interactions energy: -3.424 where: short stacking energy: -3.258 Base-Backbone interact. energy: -0.016 local terms energy: -28.715254 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -6.488 tors. eta vs tors. theta energy: -0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -36.148867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.148867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.148867 (E_RNA) where: Base-Base interactions energy: -11.798 where: short stacking energy: -11.798 Base-Backbone interact. energy: -0.071 local terms energy: -24.279834 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -3.733 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -30.481150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.481150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.481150 (E_RNA) where: Base-Base interactions energy: -10.907 where: short stacking energy: -7.401 Base-Backbone interact. energy: -0.004 local terms energy: -19.570941 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -6.286 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -0.778 tors. eta vs tors. theta energy: 0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -34.648625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.648625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.648625 (E_RNA) where: Base-Base interactions energy: -5.232 where: short stacking energy: -5.232 Base-Backbone interact. energy: -0.104 local terms energy: -29.312246 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -46.181099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.181099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.181099 (E_RNA) where: Base-Base interactions energy: -17.004 where: short stacking energy: -17.004 Base-Backbone interact. energy: -0.002 local terms energy: -29.175295 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -5.380 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: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -46.220299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.220299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.220299 (E_RNA) where: Base-Base interactions energy: -12.250 where: short stacking energy: -12.250 Base-Backbone interact. energy: -0.104 local terms energy: -33.866540 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -7.530 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -5.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -43.569341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.569341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.569341 (E_RNA) where: Base-Base interactions energy: -15.690 where: short stacking energy: -15.690 Base-Backbone interact. energy: -0.000 local terms energy: -27.879147 where: bonds (distance) C4'-P energy: -5.445 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -38.145591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.145591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.145591 (E_RNA) where: Base-Base interactions energy: -11.244 where: short stacking energy: -11.244 Base-Backbone interact. energy: -0.000 local terms energy: -26.901505 where: bonds (distance) C4'-P energy: -5.014 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -5.300 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: 5, replica: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -34.928725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.928725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.928725 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.048 Base-Backbone interact. energy: -0.106 local terms energy: -27.775284 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -37.228120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.228120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.228120 (E_RNA) where: Base-Base interactions energy: -10.723 where: short stacking energy: -10.723 Base-Backbone interact. energy: -0.022 local terms energy: -26.482596 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -4.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -36.193855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.193855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.193855 (E_RNA) where: Base-Base interactions energy: -7.174 where: short stacking energy: -7.174 Base-Backbone interact. energy: -0.032 local terms energy: -28.988301 where: bonds (distance) C4'-P energy: -6.235 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -35.638645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.638645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.638645 (E_RNA) where: Base-Base interactions energy: -9.899 where: short stacking energy: -8.734 Base-Backbone interact. energy: -0.077 local terms energy: -25.661957 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -5.746 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -34.615838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.615838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.615838 (E_RNA) where: Base-Base interactions energy: -10.137 where: short stacking energy: -10.137 Base-Backbone interact. energy: -0.708 local terms energy: -23.770312 where: bonds (distance) C4'-P energy: -7.987 bonds (distance) P-C4' energy: -3.736 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -36.287196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.287196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.287196 (E_RNA) where: Base-Base interactions energy: -8.428 where: short stacking energy: -8.428 Base-Backbone interact. energy: -0.027 local terms energy: -27.831595 where: bonds (distance) C4'-P energy: -3.548 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -6.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -44.631690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.631690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.631690 (E_RNA) where: Base-Base interactions energy: -12.112 where: short stacking energy: -12.112 Base-Backbone interact. energy: -0.021 local terms energy: -32.498128 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -6.703 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -4.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -43.160090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.160090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.160090 (E_RNA) where: Base-Base interactions energy: -13.513 where: short stacking energy: -13.513 Base-Backbone interact. energy: -0.109 local terms energy: -29.538633 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -39.417338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.417338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.417338 (E_RNA) where: Base-Base interactions energy: -12.739 where: short stacking energy: -12.739 Base-Backbone interact. energy: -0.002 local terms energy: -26.675817 where: bonds (distance) C4'-P energy: -5.693 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -4.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -40.716608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.716608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.716608 (E_RNA) where: Base-Base interactions energy: -13.071 where: short stacking energy: -13.071 Base-Backbone interact. energy: -0.163 local terms energy: -27.482349 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -3.717 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: 5, replica: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -37.493789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.493789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.493789 (E_RNA) where: Base-Base interactions energy: -7.721 where: short stacking energy: -7.721 Base-Backbone interact. energy: -0.191 local terms energy: -29.581283 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -5.912 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: 6, replica: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -32.801985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.801985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.801985 (E_RNA) where: Base-Base interactions energy: -6.482 where: short stacking energy: -6.482 Base-Backbone interact. energy: -0.269 local terms energy: -26.050929 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: 2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -36.523316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.523316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.523316 (E_RNA) where: Base-Base interactions energy: -10.873 where: short stacking energy: -9.259 Base-Backbone interact. energy: -0.001 local terms energy: -25.649747 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -3.782 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: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -42.187640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.187640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.187640 (E_RNA) where: Base-Base interactions energy: -14.772 where: short stacking energy: -14.772 Base-Backbone interact. energy: -0.081 local terms energy: -27.333999 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -4.774 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -6.761 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: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -28.673522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.673522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.673522 (E_RNA) where: Base-Base interactions energy: -5.454 where: short stacking energy: -3.855 Base-Backbone interact. energy: -0.118 local terms energy: -23.101049 where: bonds (distance) C4'-P energy: -6.414 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: 3.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -34.863918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.863918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.863918 (E_RNA) where: Base-Base interactions energy: -9.274 where: short stacking energy: -9.274 Base-Backbone interact. energy: -0.001 local terms energy: -25.588476 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.020 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: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -44.734401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.734401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.734401 (E_RNA) where: Base-Base interactions energy: -15.719 where: short stacking energy: -14.591 Base-Backbone interact. energy: -0.000 local terms energy: -29.015426 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -5.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -46.843311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.843311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.843311 (E_RNA) where: Base-Base interactions energy: -15.817 where: short stacking energy: -15.817 Base-Backbone interact. energy: -0.087 local terms energy: -30.939539 where: bonds (distance) C4'-P energy: -6.352 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -4.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -40.640127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.640127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.640127 (E_RNA) where: Base-Base interactions energy: -8.657 where: short stacking energy: -8.657 Base-Backbone interact. energy: -0.060 local terms energy: -31.922663 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.467 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -36.187503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.187503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.187503 (E_RNA) where: Base-Base interactions energy: -9.311 where: short stacking energy: -9.311 Base-Backbone interact. energy: -0.053 local terms energy: -26.823419 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -2.354 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -35.363757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.363757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.363757 (E_RNA) where: Base-Base interactions energy: -6.179 where: short stacking energy: -6.179 Base-Backbone interact. energy: -0.012 local terms energy: -29.172933 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -5.643 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: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -38.384209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.384209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.384209 (E_RNA) where: Base-Base interactions energy: -10.154 where: short stacking energy: -10.154 Base-Backbone interact. energy: 0.171 local terms energy: -28.401647 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -33.336146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.336146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.336146 (E_RNA) where: Base-Base interactions energy: -3.559 where: short stacking energy: -3.559 Base-Backbone interact. energy: -0.213 local terms energy: -29.564510 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -34.647496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.647496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.647496 (E_RNA) where: Base-Base interactions energy: -9.624 where: short stacking energy: -7.367 Base-Backbone interact. energy: -0.011 local terms energy: -25.013110 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -3.923 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: 9, replica: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -31.927137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.927137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.927137 (E_RNA) where: Base-Base interactions energy: -5.871 where: short stacking energy: -5.871 Base-Backbone interact. energy: -0.039 local terms energy: -26.017056 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -3.605 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: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -26.994793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.994793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.994793 (E_RNA) where: Base-Base interactions energy: -4.599 where: short stacking energy: -4.481 Base-Backbone interact. energy: -0.042 local terms energy: -22.354368 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -2.192 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: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -48.444451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.444451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.444451 (E_RNA) where: Base-Base interactions energy: -17.130 where: short stacking energy: -12.553 Base-Backbone interact. energy: -0.072 local terms energy: -31.242136 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -44.686931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.686931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.686931 (E_RNA) where: Base-Base interactions energy: -12.504 where: short stacking energy: -12.504 Base-Backbone interact. energy: -0.006 local terms energy: -32.176987 where: bonds (distance) C4'-P energy: -6.375 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -5.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -46.956764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.956764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.956764 (E_RNA) where: Base-Base interactions energy: -17.801 where: short stacking energy: -17.801 Base-Backbone interact. energy: -0.036 local terms energy: -29.120119 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -7.970 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -1.588 tors. eta vs tors. theta energy: -6.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -38.212907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.212907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.212907 (E_RNA) where: Base-Base interactions energy: -12.288 where: short stacking energy: -12.288 Base-Backbone interact. energy: -0.000 local terms energy: -25.925397 where: bonds (distance) C4'-P energy: -6.207 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -4.100 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: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -34.512509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.512509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.512509 (E_RNA) where: Base-Base interactions energy: -6.987 where: short stacking energy: -6.987 Base-Backbone interact. energy: -0.669 local terms energy: -26.856100 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -4.787 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: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -33.013656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.013656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.013656 (E_RNA) where: Base-Base interactions energy: -6.898 where: short stacking energy: -6.898 Base-Backbone interact. energy: -0.016 local terms energy: -26.099376 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -5.148 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -37.621522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.621522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.621522 (E_RNA) where: Base-Base interactions energy: -8.686 where: short stacking energy: -8.686 Base-Backbone interact. energy: -0.000 local terms energy: -28.934969 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -4.006 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: 8, replica: 8 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -34.655731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.655731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.655731 (E_RNA) where: Base-Base interactions energy: -6.637 where: short stacking energy: -6.637 Base-Backbone interact. energy: -0.119 local terms energy: -27.900372 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -6.216 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: 9, replica: 2 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -32.598955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.598955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.598955 (E_RNA) where: Base-Base interactions energy: -9.564 where: short stacking energy: -9.564 Base-Backbone interact. energy: -0.148 local terms energy: -22.886223 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -4.401 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -4.273 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: 10, replica: 3 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -34.700570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.700570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.700570 (E_RNA) where: Base-Base interactions energy: -8.300 where: short stacking energy: -8.300 Base-Backbone interact. energy: -0.184 local terms energy: -26.217071 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -3.197 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -43.481284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.481284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.481284 (E_RNA) where: Base-Base interactions energy: -13.286 where: short stacking energy: -13.286 Base-Backbone interact. energy: -0.001 local terms energy: -30.194960 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -3.410 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: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -45.464948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.464948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.464948 (E_RNA) where: Base-Base interactions energy: -13.910 where: short stacking energy: -13.910 Base-Backbone interact. energy: -0.005 local terms energy: -31.550011 where: bonds (distance) C4'-P energy: -6.277 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -43.870025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.870025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.870025 (E_RNA) where: Base-Base interactions energy: -13.589 where: short stacking energy: -13.589 Base-Backbone interact. energy: -0.032 local terms energy: -30.248544 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.015 flat angles P-C4'-P energy: -4.542 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: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -40.721483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.721483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.721483 (E_RNA) where: Base-Base interactions energy: -13.538 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.058 local terms energy: -27.125640 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -37.979968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.979968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.979968 (E_RNA) where: Base-Base interactions energy: -6.204 where: short stacking energy: -5.579 Base-Backbone interact. energy: -1.193 local terms energy: -30.582645 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -7.904 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -37.037444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.037444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.037444 (E_RNA) where: Base-Base interactions energy: -9.831 where: short stacking energy: -9.831 Base-Backbone interact. energy: -0.000 local terms energy: -27.206062 where: bonds (distance) C4'-P energy: -5.524 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -3.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -35.315887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.315887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.315887 (E_RNA) where: Base-Base interactions energy: -10.012 where: short stacking energy: -10.012 Base-Backbone interact. energy: -0.004 local terms energy: -25.300216 where: bonds (distance) C4'-P energy: -5.623 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -4.291 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: 8, replica: 2 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -38.791789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.791789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.791789 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.094 local terms energy: -29.946035 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -1.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -30.211547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.211547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.211547 (E_RNA) where: Base-Base interactions energy: -6.259 where: short stacking energy: -6.259 Base-Backbone interact. energy: -0.000 local terms energy: -23.952377 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: 3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -33.258539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.258539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.258539 (E_RNA) where: Base-Base interactions energy: -8.579 where: short stacking energy: -8.579 Base-Backbone interact. energy: -0.683 local terms energy: -23.996508 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -43.363161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.363161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.363161 (E_RNA) where: Base-Base interactions energy: -13.764 where: short stacking energy: -13.764 Base-Backbone interact. energy: -0.015 local terms energy: -29.584432 where: bonds (distance) C4'-P energy: -4.779 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -35.328359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.328359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.328359 (E_RNA) where: Base-Base interactions energy: -10.446 where: short stacking energy: -10.198 Base-Backbone interact. energy: -0.036 local terms energy: -24.846211 where: bonds (distance) C4'-P energy: -5.677 bonds (distance) P-C4' energy: -5.654 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -41.816523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.816523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.816523 (E_RNA) where: Base-Base interactions energy: -13.779 where: short stacking energy: -13.779 Base-Backbone interact. energy: -0.071 local terms energy: -27.966940 where: bonds (distance) C4'-P energy: -5.135 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -5.794 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: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -38.340755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.340755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.340755 (E_RNA) where: Base-Base interactions energy: -14.493 where: short stacking energy: -14.493 Base-Backbone interact. energy: -0.059 local terms energy: -23.788476 where: bonds (distance) C4'-P energy: -5.433 bonds (distance) P-C4' energy: -7.132 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -3.194 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: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -38.129403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.129403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.129403 (E_RNA) where: Base-Base interactions energy: -10.627 where: short stacking energy: -9.638 Base-Backbone interact. energy: 0.016 local terms energy: -27.517584 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -5.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -38.460823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.460823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.460823 (E_RNA) where: Base-Base interactions energy: -10.522 where: short stacking energy: -10.522 Base-Backbone interact. energy: -0.000 local terms energy: -27.938851 where: bonds (distance) C4'-P energy: -5.338 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -6.514 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: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -31.881125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.881125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.881125 (E_RNA) where: Base-Base interactions energy: -9.486 where: short stacking energy: -9.373 Base-Backbone interact. energy: -0.171 local terms energy: -22.223423 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -3.564 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: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -33.542794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.542794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.542794 (E_RNA) where: Base-Base interactions energy: -9.316 where: short stacking energy: -9.316 Base-Backbone interact. energy: -0.012 local terms energy: -24.214933 where: bonds (distance) C4'-P energy: -4.617 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -4.592 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: 9, replica: 3 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -34.873776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.873776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.873776 (E_RNA) where: Base-Base interactions energy: -9.392 where: short stacking energy: -8.069 Base-Backbone interact. energy: -0.182 local terms energy: -25.299882 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -6.089 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -2.470 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: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -31.175201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.175201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.175201 (E_RNA) where: Base-Base interactions energy: -7.190 where: short stacking energy: -7.190 Base-Backbone interact. energy: -0.010 local terms energy: -23.975030 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: 0.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -41.563310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.563310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.563310 (E_RNA) where: Base-Base interactions energy: -13.248 where: short stacking energy: -13.248 Base-Backbone interact. energy: -0.092 local terms energy: -28.223149 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -5.181 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: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -42.829704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.829704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.829704 (E_RNA) where: Base-Base interactions energy: -13.221 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.000 local terms energy: -29.608270 where: bonds (distance) C4'-P energy: -7.858 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.069 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -43.344837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.344837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.344837 (E_RNA) where: Base-Base interactions energy: -11.492 where: short stacking energy: -11.492 Base-Backbone interact. energy: -0.001 local terms energy: -31.852074 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -4.753 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: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -45.190114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.190114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.190114 (E_RNA) where: Base-Base interactions energy: -14.242 where: short stacking energy: -14.242 Base-Backbone interact. energy: -0.000 local terms energy: -30.948228 where: bonds (distance) C4'-P energy: -6.281 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -4.467 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: 5, replica: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -37.776132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.776132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.776132 (E_RNA) where: Base-Base interactions energy: -9.195 where: short stacking energy: -9.195 Base-Backbone interact. energy: -0.024 local terms energy: -28.556519 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -5.116 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: 6, replica: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -34.736045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.736045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.736045 (E_RNA) where: Base-Base interactions energy: -6.454 where: short stacking energy: -6.454 Base-Backbone interact. energy: -0.023 local terms energy: -28.259014 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -6.188 tors. eta vs tors. theta energy: 0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -35.679281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.679281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.679281 (E_RNA) where: Base-Base interactions energy: -9.775 where: short stacking energy: -9.775 Base-Backbone interact. energy: -0.115 local terms energy: -25.789626 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: -3.972 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: 279 Temperature: 1.250000 Total energy: -32.815384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.815384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.815384 (E_RNA) where: Base-Base interactions energy: -12.430 where: short stacking energy: -12.430 Base-Backbone interact. energy: -0.348 local terms energy: -20.036880 where: bonds (distance) C4'-P energy: -3.991 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: 0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -33.745275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.745275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.745275 (E_RNA) where: Base-Base interactions energy: -5.678 where: short stacking energy: -5.678 Base-Backbone interact. energy: -0.029 local terms energy: -28.038194 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -3.651 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -4.245 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: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -30.539353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.539353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.539353 (E_RNA) where: Base-Base interactions energy: -10.862 where: short stacking energy: -10.862 Base-Backbone interact. energy: -0.000 local terms energy: -19.676702 where: bonds (distance) C4'-P energy: -5.499 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -0.113 tors. eta vs tors. theta energy: 0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -49.257178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.257178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.257178 (E_RNA) where: Base-Base interactions energy: -17.779 where: short stacking energy: -17.779 Base-Backbone interact. energy: -0.025 local terms energy: -31.453337 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -7.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -39.061195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.061195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.061195 (E_RNA) where: Base-Base interactions energy: -12.872 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.184 local terms energy: -26.005345 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -5.813 flat angles C4'-P-C4' energy: -8.149 flat angles P-C4'-P energy: -4.515 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: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -47.288921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.288921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.288921 (E_RNA) where: Base-Base interactions energy: -20.566 where: short stacking energy: -20.566 Base-Backbone interact. energy: -0.006 local terms energy: -26.716763 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -7.548 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: 280 Temperature: 1.050000 Total energy: -38.335949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.335949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.335949 (E_RNA) where: Base-Base interactions energy: -10.601 where: short stacking energy: -10.601 Base-Backbone interact. energy: -0.104 local terms energy: -27.630380 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -7.663 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -41.985685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.985685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.985685 (E_RNA) where: Base-Base interactions energy: -12.541 where: short stacking energy: -12.541 Base-Backbone interact. energy: -0.000 local terms energy: -29.444776 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -4.004 tors. eta vs tors. theta energy: -7.771 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: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -40.369952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.369952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.369952 (E_RNA) where: Base-Base interactions energy: -11.690 where: short stacking energy: -11.690 Base-Backbone interact. energy: -0.037 local terms energy: -28.643230 where: bonds (distance) C4'-P energy: -6.157 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -35.441033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.441033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.441033 (E_RNA) where: Base-Base interactions energy: -10.187 where: short stacking energy: -10.187 Base-Backbone interact. energy: -0.002 local terms energy: -25.252031 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -2.427 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: 8, replica: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -36.316213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.316213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.316213 (E_RNA) where: Base-Base interactions energy: -7.339 where: short stacking energy: -7.339 Base-Backbone interact. energy: -0.019 local terms energy: -28.958603 where: bonds (distance) C4'-P energy: -8.189 bonds (distance) P-C4' energy: -4.604 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -31.926141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.926141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.926141 (E_RNA) where: Base-Base interactions energy: -7.321 where: short stacking energy: -7.321 Base-Backbone interact. energy: -0.104 local terms energy: -24.501200 where: bonds (distance) C4'-P energy: -5.888 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -5.360 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: 10, replica: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -34.173280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.173280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.173280 (E_RNA) where: Base-Base interactions energy: -3.446 where: short stacking energy: -3.446 Base-Backbone interact. energy: -0.039 local terms energy: -30.687981 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -43.095429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.095429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.095429 (E_RNA) where: Base-Base interactions energy: -14.068 where: short stacking energy: -14.068 Base-Backbone interact. energy: -0.000 local terms energy: -29.027074 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -5.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -54.919089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.919089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.919089 (E_RNA) where: Base-Base interactions energy: -19.351 where: short stacking energy: -19.351 Base-Backbone interact. energy: -0.005 local terms energy: -35.562875 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -6.226 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: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -44.452629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.452629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.452629 (E_RNA) where: Base-Base interactions energy: -8.765 where: short stacking energy: -8.765 Base-Backbone interact. energy: -0.013 local terms energy: -35.674695 where: bonds (distance) C4'-P energy: -4.928 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -8.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -42.044366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.044366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.044366 (E_RNA) where: Base-Base interactions energy: -16.569 where: short stacking energy: -16.569 Base-Backbone interact. energy: -0.001 local terms energy: -25.473864 where: bonds (distance) C4'-P energy: -7.416 bonds (distance) P-C4' energy: -6.076 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -39.195830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.195830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.195830 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.020 local terms energy: -28.475542 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -5.436 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: 6, replica: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -36.385518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.385518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.385518 (E_RNA) where: Base-Base interactions energy: -6.537 where: short stacking energy: -6.537 Base-Backbone interact. energy: -0.000 local terms energy: -29.848837 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -5.288 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: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -40.457948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.457948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.457948 (E_RNA) where: Base-Base interactions energy: -8.643 where: short stacking energy: -8.643 Base-Backbone interact. energy: -0.025 local terms energy: -31.789520 where: bonds (distance) C4'-P energy: -6.988 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -5.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -33.875738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.875738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.875738 (E_RNA) where: Base-Base interactions energy: -9.856 where: short stacking energy: -9.856 Base-Backbone interact. energy: -0.003 local terms energy: -24.016844 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -2.290 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: 9, replica: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -32.213359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.213359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.213359 (E_RNA) where: Base-Base interactions energy: -6.963 where: short stacking energy: -3.322 Base-Backbone interact. energy: -0.119 local terms energy: -25.131227 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -3.708 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: 10, replica: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -32.965116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.965116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.965116 (E_RNA) where: Base-Base interactions energy: -4.774 where: short stacking energy: -4.774 Base-Backbone interact. energy: -0.641 local terms energy: -27.550264 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -4.866 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: 1, replica: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -42.904241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.904241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.904241 (E_RNA) where: Base-Base interactions energy: -14.381 where: short stacking energy: -14.381 Base-Backbone interact. energy: -0.003 local terms energy: -28.520023 where: bonds (distance) C4'-P energy: -4.567 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -5.913 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: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -41.855364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.855364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.855364 (E_RNA) where: Base-Base interactions energy: -15.386 where: short stacking energy: -13.587 Base-Backbone interact. energy: -0.022 local terms energy: -26.447890 where: bonds (distance) C4'-P energy: -5.018 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -3.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -38.872692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.872692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.872692 (E_RNA) where: Base-Base interactions energy: -12.163 where: short stacking energy: -12.163 Base-Backbone interact. energy: -0.078 local terms energy: -26.631967 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -4.755 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: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -40.723657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.723657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.723657 (E_RNA) where: Base-Base interactions energy: -16.289 where: short stacking energy: -14.358 Base-Backbone interact. energy: -0.001 local terms energy: -24.434157 where: bonds (distance) C4'-P energy: -3.996 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -34.129239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.129239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.129239 (E_RNA) where: Base-Base interactions energy: -4.279 where: short stacking energy: -4.714 Base-Backbone interact. energy: -0.032 local terms energy: -29.818195 where: bonds (distance) C4'-P energy: -6.401 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -36.431727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.431727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.431727 (E_RNA) where: Base-Base interactions energy: -9.753 where: short stacking energy: -5.843 Base-Backbone interact. energy: -0.057 local terms energy: -26.621580 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -6.372 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -34.092426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.092426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.092426 (E_RNA) where: Base-Base interactions energy: -10.471 where: short stacking energy: -10.471 Base-Backbone interact. energy: -0.050 local terms energy: -23.570852 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -2.359 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -35.583790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.583790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.583790 (E_RNA) where: Base-Base interactions energy: -10.669 where: short stacking energy: -6.199 Base-Backbone interact. energy: -0.013 local terms energy: -24.901419 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -32.586396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.586396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.586396 (E_RNA) where: Base-Base interactions energy: -7.639 where: short stacking energy: -7.639 Base-Backbone interact. energy: 0.325 local terms energy: -25.272515 where: bonds (distance) C4'-P energy: -3.516 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -5.668 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: 10, replica: 5 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -27.447906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.447906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.447906 (E_RNA) where: Base-Base interactions energy: -5.071 where: short stacking energy: -5.071 Base-Backbone interact. energy: -0.177 local terms energy: -22.199168 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -2.896 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: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -42.010848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.010848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.010848 (E_RNA) where: Base-Base interactions energy: -14.014 where: short stacking energy: -14.014 Base-Backbone interact. energy: -0.196 local terms energy: -27.800902 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -5.504 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -36.831085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.831085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.831085 (E_RNA) where: Base-Base interactions energy: -11.331 where: short stacking energy: -11.331 Base-Backbone interact. energy: -0.104 local terms energy: -25.397016 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -6.859 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -48.295254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.295254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.295254 (E_RNA) where: Base-Base interactions energy: -14.265 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.000 local terms energy: -34.030396 where: bonds (distance) C4'-P energy: -6.219 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -6.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -35.340955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.340955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.340955 (E_RNA) where: Base-Base interactions energy: -7.621 where: short stacking energy: -7.621 Base-Backbone interact. energy: -0.021 local terms energy: -27.698556 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -4.281 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: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -36.436968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.436968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.436968 (E_RNA) where: Base-Base interactions energy: -10.159 where: short stacking energy: -10.159 Base-Backbone interact. energy: -0.035 local terms energy: -26.242092 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -3.516 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: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -36.090592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.090592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.090592 (E_RNA) where: Base-Base interactions energy: -10.891 where: short stacking energy: -10.891 Base-Backbone interact. energy: -0.395 local terms energy: -24.804231 where: bonds (distance) C4'-P energy: -6.327 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -3.041 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: 3 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -34.605870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.605870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.605870 (E_RNA) where: Base-Base interactions energy: -7.641 where: short stacking energy: -7.593 Base-Backbone interact. energy: -0.005 local terms energy: -26.960087 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.887 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -3.889 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: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -34.412646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.412646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.412646 (E_RNA) where: Base-Base interactions energy: -8.182 where: short stacking energy: -8.182 Base-Backbone interact. energy: -0.084 local terms energy: -26.147078 where: bonds (distance) C4'-P energy: -6.029 bonds (distance) P-C4' energy: -6.859 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -4.130 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: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -33.184102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.184102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.184102 (E_RNA) where: Base-Base interactions energy: -8.573 where: short stacking energy: -8.573 Base-Backbone interact. energy: -0.216 local terms energy: -24.395224 where: bonds (distance) C4'-P energy: -5.536 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -4.948 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: 10, replica: 5 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -33.509295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.509295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.509295 (E_RNA) where: Base-Base interactions energy: -7.084 where: short stacking energy: -7.084 Base-Backbone interact. energy: -0.052 local terms energy: -26.373704 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -4.824 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: 1, replica: 2 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -49.783790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.783790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.783790 (E_RNA) where: Base-Base interactions energy: -16.707 where: short stacking energy: -16.707 Base-Backbone interact. energy: -0.038 local terms energy: -33.038020 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -4.352 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: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -40.453605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.453605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.453605 (E_RNA) where: Base-Base interactions energy: -11.022 where: short stacking energy: -11.022 Base-Backbone interact. energy: -0.090 local terms energy: -29.341259 where: bonds (distance) C4'-P energy: -6.045 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -38.349502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.349502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.349502 (E_RNA) where: Base-Base interactions energy: -9.037 where: short stacking energy: -7.668 Base-Backbone interact. energy: -0.010 local terms energy: -29.302269 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -34.773292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.773292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.773292 (E_RNA) where: Base-Base interactions energy: -8.585 where: short stacking energy: -8.585 Base-Backbone interact. energy: -0.072 local terms energy: -26.115829 where: bonds (distance) C4'-P energy: -6.055 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -1.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -40.467763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.467763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.467763 (E_RNA) where: Base-Base interactions energy: -11.054 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.000 local terms energy: -29.413615 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -40.962547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.962547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.962547 (E_RNA) where: Base-Base interactions energy: -11.456 where: short stacking energy: -11.456 Base-Backbone interact. energy: -0.004 local terms energy: -29.502357 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -6.488 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: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -32.708423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.708423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.708423 (E_RNA) where: Base-Base interactions energy: -9.456 where: short stacking energy: -6.675 Base-Backbone interact. energy: -0.019 local terms energy: -23.233316 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: 0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -35.188429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.188429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.188429 (E_RNA) where: Base-Base interactions energy: -9.858 where: short stacking energy: -9.858 Base-Backbone interact. energy: -0.043 local terms energy: -25.287499 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -5.152 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: 9, replica: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -33.504791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.504791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.504791 (E_RNA) where: Base-Base interactions energy: -8.373 where: short stacking energy: -8.373 Base-Backbone interact. energy: -0.000 local terms energy: -25.131752 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -30.856024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.856024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.856024 (E_RNA) where: Base-Base interactions energy: -6.670 where: short stacking energy: -6.670 Base-Backbone interact. energy: -0.044 local terms energy: -24.142815 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -2.938 flat angles P-C4'-P energy: -6.056 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: 1, replica: 2 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -42.452777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.452777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.452777 (E_RNA) where: Base-Base interactions energy: -12.952 where: short stacking energy: -12.740 Base-Backbone interact. energy: -0.914 local terms energy: -28.586290 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -6.314 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -5.956 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: 2, replica: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -42.273192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.273192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.273192 (E_RNA) where: Base-Base interactions energy: -15.328 where: short stacking energy: -15.328 Base-Backbone interact. energy: -0.017 local terms energy: -26.928810 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -5.151 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: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -43.464686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.464686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.464686 (E_RNA) where: Base-Base interactions energy: -12.268 where: short stacking energy: -12.268 Base-Backbone interact. energy: -0.000 local terms energy: -31.196641 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -5.036 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: 285 Temperature: 1.050000 Total energy: -38.373822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.373822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.373822 (E_RNA) where: Base-Base interactions energy: -13.162 where: short stacking energy: -13.162 Base-Backbone interact. energy: -0.001 local terms energy: -25.210333 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -4.743 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -4.707 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: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -40.253882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.253882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.253882 (E_RNA) where: Base-Base interactions energy: -10.770 where: short stacking energy: -10.770 Base-Backbone interact. energy: -0.182 local terms energy: -29.302672 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -5.229 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: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -34.456794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.456794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.456794 (E_RNA) where: Base-Base interactions energy: -6.287 where: short stacking energy: -6.287 Base-Backbone interact. energy: -0.012 local terms energy: -28.157364 where: bonds (distance) C4'-P energy: -6.244 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -4.678 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: 7, replica: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -33.972986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.972986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.972986 (E_RNA) where: Base-Base interactions energy: -9.727 where: short stacking energy: -10.027 Base-Backbone interact. energy: -0.122 local terms energy: -24.123778 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -2.452 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: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -35.443966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.443966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.443966 (E_RNA) where: Base-Base interactions energy: -9.794 where: short stacking energy: -9.794 Base-Backbone interact. energy: -0.064 local terms energy: -25.586369 where: bonds (distance) C4'-P energy: -5.664 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -33.434054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.434054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.434054 (E_RNA) where: Base-Base interactions energy: -10.499 where: short stacking energy: -10.499 Base-Backbone interact. energy: -0.063 local terms energy: -22.872497 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -2.716 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -30.968193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.968193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.968193 (E_RNA) where: Base-Base interactions energy: -4.058 where: short stacking energy: -4.169 Base-Backbone interact. energy: -0.012 local terms energy: -26.898222 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -3.672 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: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -47.150422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.150422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.150422 (E_RNA) where: Base-Base interactions energy: -15.833 where: short stacking energy: -15.833 Base-Backbone interact. energy: -0.099 local terms energy: -31.218225 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -6.324 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: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -45.914010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.914010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.914010 (E_RNA) where: Base-Base interactions energy: -14.682 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.032 local terms energy: -31.200234 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -4.482 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: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -40.119932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.119932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.119932 (E_RNA) where: Base-Base interactions energy: -11.486 where: short stacking energy: -11.486 Base-Backbone interact. energy: -0.005 local terms energy: -28.629678 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -40.125027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.125027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.125027 (E_RNA) where: Base-Base interactions energy: -12.373 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.015 local terms energy: -27.737193 where: bonds (distance) C4'-P energy: -6.745 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -5.537 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: 5, replica: 6 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -37.139001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.139001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.139001 (E_RNA) where: Base-Base interactions energy: -9.419 where: short stacking energy: -8.633 Base-Backbone interact. energy: -0.112 local terms energy: -27.607966 where: bonds (distance) C4'-P energy: -5.002 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -4.907 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: 6, replica: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -41.174863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.174863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.174863 (E_RNA) where: Base-Base interactions energy: -12.936 where: short stacking energy: -12.936 Base-Backbone interact. energy: -0.005 local terms energy: -28.233430 where: bonds (distance) C4'-P energy: -6.463 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -2.748 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: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -36.710183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.710183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.710183 (E_RNA) where: Base-Base interactions energy: -8.056 where: short stacking energy: -8.056 Base-Backbone interact. energy: -0.010 local terms energy: -28.644021 where: bonds (distance) C4'-P energy: -7.034 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -1.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -31.830228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.830228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.830228 (E_RNA) where: Base-Base interactions energy: -8.440 where: short stacking energy: -8.440 Base-Backbone interact. energy: -0.068 local terms energy: -23.322603 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -28.586246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.586246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.586246 (E_RNA) where: Base-Base interactions energy: -2.407 where: short stacking energy: -2.407 Base-Backbone interact. energy: -0.572 local terms energy: -25.608119 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -35.525970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.525970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.525970 (E_RNA) where: Base-Base interactions energy: -10.783 where: short stacking energy: -10.783 Base-Backbone interact. energy: -0.078 local terms energy: -24.664468 where: bonds (distance) C4'-P energy: -6.402 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -3.584 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: 1, replica: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -42.949081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.949081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.949081 (E_RNA) where: Base-Base interactions energy: -11.679 where: short stacking energy: -11.679 Base-Backbone interact. energy: -0.000 local terms energy: -31.269884 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -6.565 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: 2, replica: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -39.561519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.561519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.561519 (E_RNA) where: Base-Base interactions energy: -13.642 where: short stacking energy: -12.306 Base-Backbone interact. energy: -0.074 local terms energy: -25.845518 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -2.367 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: 3, replica: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -40.699781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.699781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.699781 (E_RNA) where: Base-Base interactions energy: -14.230 where: short stacking energy: -14.230 Base-Backbone interact. energy: -0.018 local terms energy: -26.451706 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -4.293 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: 4, replica: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -42.621724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.621724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.621724 (E_RNA) where: Base-Base interactions energy: -10.942 where: short stacking energy: -10.942 Base-Backbone interact. energy: -0.008 local terms energy: -31.671867 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -37.199237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.199237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.199237 (E_RNA) where: Base-Base interactions energy: -10.553 where: short stacking energy: -10.553 Base-Backbone interact. energy: -0.059 local terms energy: -26.586971 where: bonds (distance) C4'-P energy: -2.833 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -4.562 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: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -35.212589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.212589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.212589 (E_RNA) where: Base-Base interactions energy: -6.724 where: short stacking energy: -6.724 Base-Backbone interact. energy: -0.067 local terms energy: -28.422139 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -5.853 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: 7, replica: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -37.363470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.363470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.363470 (E_RNA) where: Base-Base interactions energy: -7.246 where: short stacking energy: -7.246 Base-Backbone interact. energy: -0.000 local terms energy: -30.117633 where: bonds (distance) C4'-P energy: -6.414 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -38.627218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.627218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.627218 (E_RNA) where: Base-Base interactions energy: -7.756 where: short stacking energy: -7.756 Base-Backbone interact. energy: -0.062 local terms energy: -30.808878 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -31.859617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.859617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.859617 (E_RNA) where: Base-Base interactions energy: -5.194 where: short stacking energy: -3.853 Base-Backbone interact. energy: -0.004 local terms energy: -26.662041 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.442 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -32.623411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.623411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.623411 (E_RNA) where: Base-Base interactions energy: -5.874 where: short stacking energy: -5.008 Base-Backbone interact. energy: -0.431 local terms energy: -26.319002 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -46.553166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.553166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.553166 (E_RNA) where: Base-Base interactions energy: -14.552 where: short stacking energy: -14.189 Base-Backbone interact. energy: -0.098 local terms energy: -31.903819 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -6.255 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -6.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -42.898898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.898898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.898898 (E_RNA) where: Base-Base interactions energy: -12.776 where: short stacking energy: -12.776 Base-Backbone interact. energy: -0.003 local terms energy: -30.120174 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -5.748 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: 3, replica: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -38.601293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.601293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.601293 (E_RNA) where: Base-Base interactions energy: -11.760 where: short stacking energy: -11.921 Base-Backbone interact. energy: -0.098 local terms energy: -26.743239 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -2.491 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: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -37.080112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.080112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.080112 (E_RNA) where: Base-Base interactions energy: -7.034 where: short stacking energy: -7.034 Base-Backbone interact. energy: -0.148 local terms energy: -29.898142 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -41.787953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.787953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.787953 (E_RNA) where: Base-Base interactions energy: -13.105 where: short stacking energy: -13.105 Base-Backbone interact. energy: -0.063 local terms energy: -28.619445 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -4.092 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: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -39.062077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.062077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.062077 (E_RNA) where: Base-Base interactions energy: -7.317 where: short stacking energy: -7.317 Base-Backbone interact. energy: -0.000 local terms energy: -31.745257 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -5.750 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: 7, replica: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -43.702420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.702420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.702420 (E_RNA) where: Base-Base interactions energy: -10.958 where: short stacking energy: -10.958 Base-Backbone interact. energy: -0.001 local terms energy: -32.744093 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -5.709 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: 8, replica: 8 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -35.199757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.199757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.199757 (E_RNA) where: Base-Base interactions energy: -7.717 where: short stacking energy: -7.717 Base-Backbone interact. energy: -0.000 local terms energy: -27.482354 where: bonds (distance) C4'-P energy: -5.206 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -5.281 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: 9, replica: 3 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -32.402914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.402914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.402914 (E_RNA) where: Base-Base interactions energy: -7.637 where: short stacking energy: -7.637 Base-Backbone interact. energy: -0.000 local terms energy: -24.765846 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -2.574 flat angles P-C4'-P energy: -3.334 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: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -33.181862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.181862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.181862 (E_RNA) where: Base-Base interactions energy: -7.972 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.003 local terms energy: -25.207306 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -4.862 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: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -49.041410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.041410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.041410 (E_RNA) where: Base-Base interactions energy: -14.826 where: short stacking energy: -14.826 Base-Backbone interact. energy: -0.000 local terms energy: -34.214725 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -43.835336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.835336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.835336 (E_RNA) where: Base-Base interactions energy: -10.816 where: short stacking energy: -10.816 Base-Backbone interact. energy: -0.010 local terms energy: -33.009243 where: bonds (distance) C4'-P energy: -6.820 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -6.599 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: 289 Temperature: 1.000000 Total energy: -40.816075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.816075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.816075 (E_RNA) where: Base-Base interactions energy: -8.275 where: short stacking energy: -8.275 Base-Backbone interact. energy: -0.071 local terms energy: -32.470313 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -4.687 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: 4, replica: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -39.389691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.389691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.389691 (E_RNA) where: Base-Base interactions energy: -7.658 where: short stacking energy: -7.658 Base-Backbone interact. energy: -0.010 local terms energy: -31.721354 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -5.778 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: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -40.928509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.928509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.928509 (E_RNA) where: Base-Base interactions energy: -11.344 where: short stacking energy: -10.063 Base-Backbone interact. energy: -0.105 local terms energy: -29.479299 where: bonds (distance) C4'-P energy: -4.944 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -6.021 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: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -37.654961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.654961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.654961 (E_RNA) where: Base-Base interactions energy: -12.854 where: short stacking energy: -12.854 Base-Backbone interact. energy: -0.121 local terms energy: -24.680309 where: bonds (distance) C4'-P energy: -3.429 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -2.866 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: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -32.115285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.115285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.115285 (E_RNA) where: Base-Base interactions energy: -7.200 where: short stacking energy: -5.852 Base-Backbone interact. energy: 0.581 local terms energy: -25.496566 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -3.580 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: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -34.978736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.978736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.978736 (E_RNA) where: Base-Base interactions energy: -7.718 where: short stacking energy: -7.718 Base-Backbone interact. energy: -0.001 local terms energy: -27.259420 where: bonds (distance) C4'-P energy: -4.345 bonds (distance) P-C4' energy: -6.619 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -4.458 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: 9, replica: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -28.466684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.466684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.466684 (E_RNA) where: Base-Base interactions energy: -4.945 where: short stacking energy: -4.945 Base-Backbone interact. energy: -0.536 local terms energy: -22.985674 where: bonds (distance) C4'-P energy: -6.624 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -4.292 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: 10, replica: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -36.889229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.889229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.889229 (E_RNA) where: Base-Base interactions energy: -9.027 where: short stacking energy: -9.027 Base-Backbone interact. energy: -0.001 local terms energy: -27.862072 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -4.145 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -4.843 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: 1, replica: 6 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -42.587843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.587843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.587843 (E_RNA) where: Base-Base interactions energy: -15.043 where: short stacking energy: -15.043 Base-Backbone interact. energy: -0.085 local terms energy: -27.460004 where: bonds (distance) C4'-P energy: -6.600 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -5.217 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: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -46.130514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.130514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.130514 (E_RNA) where: Base-Base interactions energy: -16.764 where: short stacking energy: -16.764 Base-Backbone interact. energy: -0.037 local terms energy: -29.329701 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -7.887 flat angles P-C4'-P energy: -1.444 tors. eta vs tors. theta energy: -6.304 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: 290 Temperature: 1.000000 Total energy: -41.409748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.409748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.409748 (E_RNA) where: Base-Base interactions energy: -13.545 where: short stacking energy: -13.545 Base-Backbone interact. energy: -0.093 local terms energy: -27.771422 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -4.811 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -37.577981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.577981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.577981 (E_RNA) where: Base-Base interactions energy: -13.989 where: short stacking energy: -13.999 Base-Backbone interact. energy: -0.014 local terms energy: -23.575416 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -2.528 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: 5, replica: 5 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -38.490903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.490903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.490903 (E_RNA) where: Base-Base interactions energy: -8.778 where: short stacking energy: -8.778 Base-Backbone interact. energy: -0.033 local terms energy: -29.680049 where: bonds (distance) C4'-P energy: -5.523 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -38.185228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.185228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.185228 (E_RNA) where: Base-Base interactions energy: -12.294 where: short stacking energy: -12.294 Base-Backbone interact. energy: -0.004 local terms energy: -25.887020 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.706 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -36.889258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.889258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.889258 (E_RNA) where: Base-Base interactions energy: -12.204 where: short stacking energy: -12.204 Base-Backbone interact. energy: 0.054 local terms energy: -24.739199 where: bonds (distance) C4'-P energy: -5.358 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -2.804 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: 8, replica: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -31.562862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.562862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.562862 (E_RNA) where: Base-Base interactions energy: -4.954 where: short stacking energy: -4.288 Base-Backbone interact. energy: -0.163 local terms energy: -26.445242 where: bonds (distance) C4'-P energy: -4.414 bonds (distance) P-C4' energy: -8.141 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -5.515 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: 9, replica: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -30.271691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.271691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.271691 (E_RNA) where: Base-Base interactions energy: -5.253 where: short stacking energy: -5.253 Base-Backbone interact. energy: -0.036 local terms energy: -24.982860 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: 0.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -31.000143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.000143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.000143 (E_RNA) where: Base-Base interactions energy: -7.220 where: short stacking energy: -7.220 Base-Backbone interact. energy: -0.001 local terms energy: -23.779682 where: bonds (distance) C4'-P energy: -6.546 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -44.623569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.623569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.623569 (E_RNA) where: Base-Base interactions energy: -11.539 where: short stacking energy: -11.539 Base-Backbone interact. energy: -0.003 local terms energy: -33.081124 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -46.861020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.861020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.861020 (E_RNA) where: Base-Base interactions energy: -14.235 where: short stacking energy: -14.235 Base-Backbone interact. energy: -0.000 local terms energy: -32.626266 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -5.005 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: 3, replica: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -43.495594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.495594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.495594 (E_RNA) where: Base-Base interactions energy: -17.268 where: short stacking energy: -17.268 Base-Backbone interact. energy: -0.064 local terms energy: -26.163756 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -41.058428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.058428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.058428 (E_RNA) where: Base-Base interactions energy: -13.807 where: short stacking energy: -13.807 Base-Backbone interact. energy: 0.630 local terms energy: -27.880865 where: bonds (distance) C4'-P energy: -5.180 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -3.973 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: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -38.073796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.073796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.073796 (E_RNA) where: Base-Base interactions energy: -14.305 where: short stacking energy: -14.305 Base-Backbone interact. energy: 0.592 local terms energy: -24.360608 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -5.169 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -3.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -35.159211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.159211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.159211 (E_RNA) where: Base-Base interactions energy: -10.046 where: short stacking energy: -10.046 Base-Backbone interact. energy: -0.658 local terms energy: -24.454618 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -4.087 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: 7, replica: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -33.824475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.824475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.824475 (E_RNA) where: Base-Base interactions energy: -6.606 where: short stacking energy: -6.606 Base-Backbone interact. energy: -0.001 local terms energy: -27.218448 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -0.804 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: 8, replica: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -28.996917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.996917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.996917 (E_RNA) where: Base-Base interactions energy: -8.030 where: short stacking energy: -6.344 Base-Backbone interact. energy: -0.070 local terms energy: -20.896413 where: bonds (distance) C4'-P energy: -3.139 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -3.358 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: 291 Temperature: 1.300000 Total energy: -31.028950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.028950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.028950 (E_RNA) where: Base-Base interactions energy: -5.690 where: short stacking energy: -5.690 Base-Backbone interact. energy: -0.144 local terms energy: -25.194198 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -4.863 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: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -32.006616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.006616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.006616 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.008 local terms energy: -22.400941 where: bonds (distance) C4'-P energy: -4.070 bonds (distance) P-C4' energy: -4.610 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.803 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: 1, replica: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -43.035206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.035206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.035206 (E_RNA) where: Base-Base interactions energy: -12.074 where: short stacking energy: -12.074 Base-Backbone interact. energy: -0.000 local terms energy: -30.961516 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -8.158 flat angles P-C4'-P energy: -6.245 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -42.088751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.088751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.088751 (E_RNA) where: Base-Base interactions energy: -13.352 where: short stacking energy: -13.352 Base-Backbone interact. energy: -0.003 local terms energy: -28.733386 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -41.651307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.651307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.651307 (E_RNA) where: Base-Base interactions energy: -10.568 where: short stacking energy: -10.568 Base-Backbone interact. energy: -0.000 local terms energy: -31.082860 where: bonds (distance) C4'-P energy: -5.146 bonds (distance) P-C4' energy: -8.181 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -6.326 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: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -41.227836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.227836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.227836 (E_RNA) where: Base-Base interactions energy: -12.437 where: short stacking energy: -12.437 Base-Backbone interact. energy: -0.000 local terms energy: -28.791065 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -3.753 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: 292 Temperature: 1.100000 Total energy: -36.717136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.717136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.717136 (E_RNA) where: Base-Base interactions energy: -7.730 where: short stacking energy: -7.730 Base-Backbone interact. energy: -0.004 local terms energy: -28.983626 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -4.845 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: 6, replica: 2 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -37.903265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.903265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.903265 (E_RNA) where: Base-Base interactions energy: -9.743 where: short stacking energy: -9.743 Base-Backbone interact. energy: -0.009 local terms energy: -28.151435 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -5.899 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -34.662320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.662320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.662320 (E_RNA) where: Base-Base interactions energy: -7.441 where: short stacking energy: -7.441 Base-Backbone interact. energy: -0.004 local terms energy: -27.218245 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -3.127 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -4.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -34.040372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.040372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.040372 (E_RNA) where: Base-Base interactions energy: -7.606 where: short stacking energy: -7.606 Base-Backbone interact. energy: -0.002 local terms energy: -26.431882 where: bonds (distance) C4'-P energy: -4.149 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -32.003713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.003713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.003713 (E_RNA) where: Base-Base interactions energy: -7.491 where: short stacking energy: -7.491 Base-Backbone interact. energy: -0.100 local terms energy: -24.413556 where: bonds (distance) C4'-P energy: -5.817 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -34.462297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.462297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.462297 (E_RNA) where: Base-Base interactions energy: -8.941 where: short stacking energy: -8.941 Base-Backbone interact. energy: -0.001 local terms energy: -25.520291 where: bonds (distance) C4'-P energy: -4.257 bonds (distance) P-C4' energy: -6.709 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -6.196 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: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -50.511880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.511880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.511880 (E_RNA) where: Base-Base interactions energy: -17.421 where: short stacking energy: -17.421 Base-Backbone interact. energy: -0.018 local terms energy: -33.073352 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -5.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -45.843834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.843834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.843834 (E_RNA) where: Base-Base interactions energy: -16.653 where: short stacking energy: -16.653 Base-Backbone interact. energy: -0.001 local terms energy: -29.189986 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -4.681 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: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -40.403943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.403943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.403943 (E_RNA) where: Base-Base interactions energy: -12.299 where: short stacking energy: -12.299 Base-Backbone interact. energy: -0.026 local terms energy: -28.079632 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -4.532 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: 4, replica: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -40.483137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.483137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.483137 (E_RNA) where: Base-Base interactions energy: -14.379 where: short stacking energy: -14.379 Base-Backbone interact. energy: -0.000 local terms energy: -26.103787 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -42.704444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.704444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.704444 (E_RNA) where: Base-Base interactions energy: -14.310 where: short stacking energy: -13.357 Base-Backbone interact. energy: 0.747 local terms energy: -29.140960 where: bonds (distance) C4'-P energy: -7.034 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -32.553544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.553544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.553544 (E_RNA) where: Base-Base interactions energy: -8.453 where: short stacking energy: -8.453 Base-Backbone interact. energy: -0.042 local terms energy: -24.058539 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -6.147 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -5.820 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: 7, replica: 2 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -38.847212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.847212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.847212 (E_RNA) where: Base-Base interactions energy: -8.211 where: short stacking energy: -8.211 Base-Backbone interact. energy: -0.020 local terms energy: -30.615661 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -6.213 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: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -36.107147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.107147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.107147 (E_RNA) where: Base-Base interactions energy: -8.695 where: short stacking energy: -8.695 Base-Backbone interact. energy: -0.839 local terms energy: -26.573137 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -5.711 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -3.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -34.136724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.136724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.136724 (E_RNA) where: Base-Base interactions energy: -7.014 where: short stacking energy: -7.014 Base-Backbone interact. energy: -0.001 local terms energy: -27.121293 where: bonds (distance) C4'-P energy: -6.535 bonds (distance) P-C4' energy: -7.445 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -1.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -33.156019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.156019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.156019 (E_RNA) where: Base-Base interactions energy: -9.540 where: short stacking energy: -9.540 Base-Backbone interact. energy: -0.075 local terms energy: -23.541363 where: bonds (distance) C4'-P energy: -4.041 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -0.340 tors. eta vs tors. theta energy: -6.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -48.159110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.159110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.159110 (E_RNA) where: Base-Base interactions energy: -13.812 where: short stacking energy: -13.812 Base-Backbone interact. energy: -0.972 local terms energy: -33.374995 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -6.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -42.160671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.160671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.160671 (E_RNA) where: Base-Base interactions energy: -10.291 where: short stacking energy: -10.291 Base-Backbone interact. energy: -0.083 local terms energy: -31.786930 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -45.398560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.398560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.398560 (E_RNA) where: Base-Base interactions energy: -17.221 where: short stacking energy: -17.221 Base-Backbone interact. energy: -0.001 local terms energy: -28.176932 where: bonds (distance) C4'-P energy: -6.073 bonds (distance) P-C4' energy: -7.004 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -6.039 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: 6 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -42.216768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.216768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.216768 (E_RNA) where: Base-Base interactions energy: -17.480 where: short stacking energy: -14.148 Base-Backbone interact. energy: -0.925 local terms energy: -23.811304 where: bonds (distance) C4'-P energy: -6.686 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -3.497 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: 1 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -38.790329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.790329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.790329 (E_RNA) where: Base-Base interactions energy: -11.513 where: short stacking energy: -11.513 Base-Backbone interact. energy: -0.028 local terms energy: -27.249738 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -5.152 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: 7 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -44.363458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.363458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.363458 (E_RNA) where: Base-Base interactions energy: -13.055 where: short stacking energy: -13.055 Base-Backbone interact. energy: -0.283 local terms energy: -31.025346 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -6.123 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: 7, replica: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -35.724057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.724057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.724057 (E_RNA) where: Base-Base interactions energy: -10.567 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.009 local terms energy: -25.147863 where: bonds (distance) C4'-P energy: -6.686 bonds (distance) P-C4' energy: -5.625 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -5.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -33.501464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.501464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.501464 (E_RNA) where: Base-Base interactions energy: -6.847 where: short stacking energy: -6.847 Base-Backbone interact. energy: -0.204 local terms energy: -26.450718 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -0.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -29.289519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.289519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.289519 (E_RNA) where: Base-Base interactions energy: -8.571 where: short stacking energy: -7.778 Base-Backbone interact. energy: -0.092 local terms energy: -20.626266 where: bonds (distance) C4'-P energy: -4.042 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -33.854401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.854401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.854401 (E_RNA) where: Base-Base interactions energy: -9.168 where: short stacking energy: -9.168 Base-Backbone interact. energy: -0.101 local terms energy: -24.585118 where: bonds (distance) C4'-P energy: -5.950 bonds (distance) P-C4' energy: -7.217 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -0.731 tors. eta vs tors. theta energy: -4.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -45.075786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.075786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.075786 (E_RNA) where: Base-Base interactions energy: -15.536 where: short stacking energy: -15.536 Base-Backbone interact. energy: -0.001 local terms energy: -29.538587 where: bonds (distance) C4'-P energy: -6.662 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -52.458246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.458246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.458246 (E_RNA) where: Base-Base interactions energy: -19.203 where: short stacking energy: -19.203 Base-Backbone interact. energy: -0.040 local terms energy: -33.215558 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -4.794 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: 295 Temperature: 1.000000 Total energy: -42.595202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.595202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.595202 (E_RNA) where: Base-Base interactions energy: -11.931 where: short stacking energy: -11.931 Base-Backbone interact. energy: -0.000 local terms energy: -30.664240 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -38.601568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.601568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.601568 (E_RNA) where: Base-Base interactions energy: -11.185 where: short stacking energy: -11.185 Base-Backbone interact. energy: -0.853 local terms energy: -26.563124 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -3.362 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: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -41.436129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.436129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.436129 (E_RNA) where: Base-Base interactions energy: -15.463 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.011 local terms energy: -25.961238 where: bonds (distance) C4'-P energy: -5.586 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -38.120410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.120410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.120410 (E_RNA) where: Base-Base interactions energy: -12.048 where: short stacking energy: -12.048 Base-Backbone interact. energy: -0.059 local terms energy: -26.013839 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.707 flat angles P-C4'-P energy: -3.298 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: 7, replica: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -34.163753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.163753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.163753 (E_RNA) where: Base-Base interactions energy: -7.401 where: short stacking energy: -7.401 Base-Backbone interact. energy: -1.284 local terms energy: -25.478214 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -38.461927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.461927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.461927 (E_RNA) where: Base-Base interactions energy: -7.423 where: short stacking energy: -6.892 Base-Backbone interact. energy: -0.020 local terms energy: -31.018392 where: bonds (distance) C4'-P energy: -5.693 bonds (distance) P-C4' energy: -7.911 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -33.690022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.690022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.690022 (E_RNA) where: Base-Base interactions energy: -7.758 where: short stacking energy: -5.003 Base-Backbone interact. energy: -0.104 local terms energy: -25.827594 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -30.587192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.587192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.587192 (E_RNA) where: Base-Base interactions energy: -10.376 where: short stacking energy: -10.376 Base-Backbone interact. energy: -0.043 local terms energy: -20.167936 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: 0.116 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: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -41.563086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.563086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.563086 (E_RNA) where: Base-Base interactions energy: -9.728 where: short stacking energy: -9.684 Base-Backbone interact. energy: 0.152 local terms energy: -31.987263 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -2.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -42.393296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.393296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.393296 (E_RNA) where: Base-Base interactions energy: -13.330 where: short stacking energy: -13.330 Base-Backbone interact. energy: -0.002 local terms energy: -29.061237 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -6.663 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -4.632 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: 3, replica: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -46.668760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.668760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.668760 (E_RNA) where: Base-Base interactions energy: -15.096 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.001 local terms energy: -31.571611 where: bonds (distance) C4'-P energy: -8.227 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -5.262 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: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -37.403037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.403037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.403037 (E_RNA) where: Base-Base interactions energy: -13.281 where: short stacking energy: -13.281 Base-Backbone interact. energy: -0.012 local terms energy: -24.110472 where: bonds (distance) C4'-P energy: -6.775 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -3.880 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: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -41.572086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.572086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.572086 (E_RNA) where: Base-Base interactions energy: -9.314 where: short stacking energy: -9.314 Base-Backbone interact. energy: -0.000 local terms energy: -32.257680 where: bonds (distance) C4'-P energy: -5.810 bonds (distance) P-C4' energy: -7.454 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -36.080903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.080903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.080903 (E_RNA) where: Base-Base interactions energy: -10.560 where: short stacking energy: -10.560 Base-Backbone interact. energy: -0.464 local terms energy: -25.056493 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -5.061 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -38.870045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.870045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.870045 (E_RNA) where: Base-Base interactions energy: -11.032 where: short stacking energy: -11.032 Base-Backbone interact. energy: -0.012 local terms energy: -27.825397 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -6.166 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: 8, replica: 10 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -32.134329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.134329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.134329 (E_RNA) where: Base-Base interactions energy: -7.804 where: short stacking energy: -7.804 Base-Backbone interact. energy: -0.047 local terms energy: -24.283638 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -35.240772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.240772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.240772 (E_RNA) where: Base-Base interactions energy: -8.557 where: short stacking energy: -8.557 Base-Backbone interact. energy: -0.047 local terms energy: -26.636013 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -33.281670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.281670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.281670 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.112 local terms energy: -24.285833 where: bonds (distance) C4'-P energy: -3.582 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -3.081 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: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -44.271631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.271631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.271631 (E_RNA) where: Base-Base interactions energy: -13.291 where: short stacking energy: -13.291 Base-Backbone interact. energy: -0.183 local terms energy: -30.796916 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -44.507205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.507205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.507205 (E_RNA) where: Base-Base interactions energy: -11.862 where: short stacking energy: -11.158 Base-Backbone interact. energy: -0.007 local terms energy: -32.637850 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -44.372750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.372750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.372750 (E_RNA) where: Base-Base interactions energy: -12.071 where: short stacking energy: -12.071 Base-Backbone interact. energy: -0.000 local terms energy: -32.301538 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -5.259 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: 6 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -34.795503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.795503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.795503 (E_RNA) where: Base-Base interactions energy: -8.158 where: short stacking energy: -8.158 Base-Backbone interact. energy: -0.006 local terms energy: -26.631695 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: 0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -39.669911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.669911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.669911 (E_RNA) where: Base-Base interactions energy: -13.717 where: short stacking energy: -13.717 Base-Backbone interact. energy: -0.085 local terms energy: -25.868441 where: bonds (distance) C4'-P energy: -6.073 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -5.198 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: 6, replica: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -39.316822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.316822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.316822 (E_RNA) where: Base-Base interactions energy: -12.149 where: short stacking energy: -12.149 Base-Backbone interact. energy: -0.080 local terms energy: -27.088217 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -5.361 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: 7, replica: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -40.173768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.173768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.173768 (E_RNA) where: Base-Base interactions energy: -10.922 where: short stacking energy: -10.922 Base-Backbone interact. energy: -0.016 local terms energy: -29.236312 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -6.936 flat angles C4'-P-C4' energy: -7.596 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -32.695120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.695120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.695120 (E_RNA) where: Base-Base interactions energy: -6.393 where: short stacking energy: -6.393 Base-Backbone interact. energy: -0.016 local terms energy: -26.285774 where: bonds (distance) C4'-P energy: -3.518 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -5.359 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: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -33.779992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.779992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.779992 (E_RNA) where: Base-Base interactions energy: -5.666 where: short stacking energy: -6.366 Base-Backbone interact. energy: -0.000 local terms energy: -28.113923 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -1.459 tors. eta vs tors. theta energy: -6.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -35.699965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.699965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.699965 (E_RNA) where: Base-Base interactions energy: -9.177 where: short stacking energy: -9.177 Base-Backbone interact. energy: -0.122 local terms energy: -26.401477 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -4.383 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: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -43.940090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.940090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.940090 (E_RNA) where: Base-Base interactions energy: -10.956 where: short stacking energy: -10.956 Base-Backbone interact. energy: -0.152 local terms energy: -32.831893 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -5.903 tors. eta vs tors. theta energy: -3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -43.833720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.833720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.833720 (E_RNA) where: Base-Base interactions energy: -13.865 where: short stacking energy: -13.865 Base-Backbone interact. energy: -0.007 local terms energy: -29.962264 where: bonds (distance) C4'-P energy: -5.221 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -4.953 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: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -39.078056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.078056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.078056 (E_RNA) where: Base-Base interactions energy: -10.872 where: short stacking energy: -10.872 Base-Backbone interact. energy: -0.009 local terms energy: -28.196976 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -6.031 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -42.497087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.497087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.497087 (E_RNA) where: Base-Base interactions energy: -11.246 where: short stacking energy: -11.246 Base-Backbone interact. energy: -0.002 local terms energy: -31.249912 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -36.749152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.749152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.749152 (E_RNA) where: Base-Base interactions energy: -10.016 where: short stacking energy: -10.016 Base-Backbone interact. energy: -0.099 local terms energy: -26.634564 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -5.466 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: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -38.182452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.182452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.182452 (E_RNA) where: Base-Base interactions energy: -7.541 where: short stacking energy: -7.541 Base-Backbone interact. energy: -0.000 local terms energy: -30.641424 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: -4.261 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: 298 Temperature: 1.200000 Total energy: -37.964794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.964794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.964794 (E_RNA) where: Base-Base interactions energy: -12.549 where: short stacking energy: -12.549 Base-Backbone interact. energy: -0.005 local terms energy: -25.410572 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -2.485 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -33.300832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.300832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.300832 (E_RNA) where: Base-Base interactions energy: -9.894 where: short stacking energy: -9.894 Base-Backbone interact. energy: 0.334 local terms energy: -23.740932 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -32.580249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.580249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.580249 (E_RNA) where: Base-Base interactions energy: -13.873 where: short stacking energy: -8.621 Base-Backbone interact. energy: -0.003 local terms energy: -18.704415 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -1.664 tors. eta vs tors. theta energy: -0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -32.686294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.686294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.686294 (E_RNA) where: Base-Base interactions energy: -10.065 where: short stacking energy: -8.541 Base-Backbone interact. energy: -0.026 local terms energy: -22.595480 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -1.793 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -43.085793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.085793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.085793 (E_RNA) where: Base-Base interactions energy: -9.805 where: short stacking energy: -9.805 Base-Backbone interact. energy: -0.125 local terms energy: -33.155365 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -42.574585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.574585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.574585 (E_RNA) where: Base-Base interactions energy: -11.590 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.226 local terms energy: -30.758818 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -40.031783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.031783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.031783 (E_RNA) where: Base-Base interactions energy: -10.263 where: short stacking energy: -10.263 Base-Backbone interact. energy: -0.034 local terms energy: -29.734046 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -7.807 flat angles P-C4'-P energy: -3.604 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: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -35.739909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.739909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.739909 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -9.549 Base-Backbone interact. energy: -0.094 local terms energy: -24.945815 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -3.827 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: 5, replica: 5 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -38.098460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.098460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.098460 (E_RNA) where: Base-Base interactions energy: -11.596 where: short stacking energy: -11.596 Base-Backbone interact. energy: -0.078 local terms energy: -26.424153 where: bonds (distance) C4'-P energy: -4.576 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -4.160 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: 6, replica: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -34.421756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.421756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.421756 (E_RNA) where: Base-Base interactions energy: -8.030 where: short stacking energy: -8.030 Base-Backbone interact. energy: -0.022 local terms energy: -26.370200 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: 0.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -41.106841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.106841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.106841 (E_RNA) where: Base-Base interactions energy: -14.593 where: short stacking energy: -14.795 Base-Backbone interact. energy: -0.187 local terms energy: -26.327050 where: bonds (distance) C4'-P energy: -3.438 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -4.227 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: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -31.619298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.619298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.619298 (E_RNA) where: Base-Base interactions energy: -6.501 where: short stacking energy: -6.501 Base-Backbone interact. energy: -0.397 local terms energy: -24.720911 where: bonds (distance) C4'-P energy: -6.679 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -1.797 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -31.910584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.910584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.910584 (E_RNA) where: Base-Base interactions energy: -5.679 where: short stacking energy: -5.679 Base-Backbone interact. energy: -0.087 local terms energy: -26.144023 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -2.622 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: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -33.372340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.372340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.372340 (E_RNA) where: Base-Base interactions energy: -6.662 where: short stacking energy: -6.662 Base-Backbone interact. energy: -0.565 local terms energy: -26.146210 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -5.558 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: 4 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -47.545860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.545860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.545860 (E_RNA) where: Base-Base interactions energy: -17.780 where: short stacking energy: -17.780 Base-Backbone interact. energy: -0.000 local terms energy: -29.765984 where: bonds (distance) C4'-P energy: -6.261 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -45.181930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.181930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.181930 (E_RNA) where: Base-Base interactions energy: -11.957 where: short stacking energy: -11.957 Base-Backbone interact. energy: -0.000 local terms energy: -33.224774 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -7.827 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: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -35.241598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.241598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.241598 (E_RNA) where: Base-Base interactions energy: -8.598 where: short stacking energy: -8.598 Base-Backbone interact. energy: -0.001 local terms energy: -26.642993 where: bonds (distance) C4'-P energy: -5.781 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -0.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -38.920153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.920153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.920153 (E_RNA) where: Base-Base interactions energy: -15.329 where: short stacking energy: -15.329 Base-Backbone interact. energy: -0.001 local terms energy: -23.591030 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -3.973 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: 5, replica: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -40.670875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.670875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.670875 (E_RNA) where: Base-Base interactions energy: -10.556 where: short stacking energy: -10.556 Base-Backbone interact. energy: -0.000 local terms energy: -30.114870 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -6.100 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: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -38.144043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.144043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.144043 (E_RNA) where: Base-Base interactions energy: -11.520 where: short stacking energy: -9.057 Base-Backbone interact. energy: -0.024 local terms energy: -26.600879 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.933 flat angles C4'-P-C4' energy: -2.819 flat angles P-C4'-P energy: -5.835 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -34.591991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.591991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.591991 (E_RNA) where: Base-Base interactions energy: -6.387 where: short stacking energy: -6.463 Base-Backbone interact. energy: -0.163 local terms energy: -28.041406 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -5.578 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: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -39.352755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.352755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.352755 (E_RNA) where: Base-Base interactions energy: -9.350 where: short stacking energy: -9.350 Base-Backbone interact. energy: -0.101 local terms energy: -29.902013 where: bonds (distance) C4'-P energy: -5.316 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -5.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -34.683648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.683648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.683648 (E_RNA) where: Base-Base interactions energy: -7.021 where: short stacking energy: -7.021 Base-Backbone interact. energy: -0.080 local terms energy: -27.582380 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -28.849672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.849672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.849672 (E_RNA) where: Base-Base interactions energy: -3.694 where: short stacking energy: -3.694 Base-Backbone interact. energy: -0.004 local terms energy: -25.151705 where: bonds (distance) C4'-P energy: -5.358 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: 0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -51.103943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.103943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.103943 (E_RNA) where: Base-Base interactions energy: -18.241 where: short stacking energy: -18.241 Base-Backbone interact. energy: -0.002 local terms energy: -32.861059 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -7.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -41.872935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.872935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.872935 (E_RNA) where: Base-Base interactions energy: -11.547 where: short stacking energy: -11.547 Base-Backbone interact. energy: -0.020 local terms energy: -30.306605 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -5.247 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: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -37.680028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.680028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.680028 (E_RNA) where: Base-Base interactions energy: -8.129 where: short stacking energy: -8.129 Base-Backbone interact. energy: -0.021 local terms energy: -29.529263 where: bonds (distance) C4'-P energy: -7.254 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -4.839 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: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -46.340972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.340972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.340972 (E_RNA) where: Base-Base interactions energy: -14.178 where: short stacking energy: -14.178 Base-Backbone interact. energy: -0.000 local terms energy: -32.162852 where: bonds (distance) C4'-P energy: -4.584 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -7.330 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: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -43.339361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.339361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.339361 (E_RNA) where: Base-Base interactions energy: -16.164 where: short stacking energy: -16.164 Base-Backbone interact. energy: -0.000 local terms energy: -27.175293 where: bonds (distance) C4'-P energy: -6.430 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -2.501 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: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -36.217069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.217069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.217069 (E_RNA) where: Base-Base interactions energy: -8.101 where: short stacking energy: -8.101 Base-Backbone interact. energy: -0.044 local terms energy: -28.071794 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -8.141 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -0.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -33.288128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.288128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.288128 (E_RNA) where: Base-Base interactions energy: -6.550 where: short stacking energy: -4.417 Base-Backbone interact. energy: -0.740 local terms energy: -25.998072 where: bonds (distance) C4'-P energy: -5.647 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -6.351 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: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -30.303611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.303611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.303611 (E_RNA) where: Base-Base interactions energy: -9.658 where: short stacking energy: -9.658 Base-Backbone interact. energy: -0.076 local terms energy: -20.569759 where: bonds (distance) C4'-P energy: -4.986 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -34.735008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.735008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.735008 (E_RNA) where: Base-Base interactions energy: -8.551 where: short stacking energy: -8.551 Base-Backbone interact. energy: 0.912 local terms energy: -27.096536 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.709 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -3.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -35.640195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.640195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.640195 (E_RNA) where: Base-Base interactions energy: -9.445 where: short stacking energy: -9.445 Base-Backbone interact. energy: -0.092 local terms energy: -26.103059 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -4.450 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: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -54.526243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.526243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.526243 (E_RNA) where: Base-Base interactions energy: -22.309 where: short stacking energy: -22.309 Base-Backbone interact. energy: -0.065 local terms energy: -32.151889 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -8.014 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: 4 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -46.891299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.891299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.891299 (E_RNA) where: Base-Base interactions energy: -12.376 where: short stacking energy: -12.376 Base-Backbone interact. energy: -0.000 local terms energy: -34.514936 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -7.708 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: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -44.509436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.509436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.509436 (E_RNA) where: Base-Base interactions energy: -15.464 where: short stacking energy: -15.464 Base-Backbone interact. energy: -0.017 local terms energy: -29.028422 where: bonds (distance) C4'-P energy: -6.646 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -37.111291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.111291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.111291 (E_RNA) where: Base-Base interactions energy: -8.751 where: short stacking energy: -8.751 Base-Backbone interact. energy: -0.024 local terms energy: -28.336341 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -5.440 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: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -44.149440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.149440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.149440 (E_RNA) where: Base-Base interactions energy: -13.168 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.001 local terms energy: -30.980478 where: bonds (distance) C4'-P energy: -5.267 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -6.547 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: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -34.882144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.882144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.882144 (E_RNA) where: Base-Base interactions energy: -10.048 where: short stacking energy: -10.048 Base-Backbone interact. energy: -0.078 local terms energy: -24.755700 where: bonds (distance) C4'-P energy: -6.112 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -1.776 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -34.690907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.690907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.690907 (E_RNA) where: Base-Base interactions energy: -12.233 where: short stacking energy: -12.233 Base-Backbone interact. energy: -0.020 local terms energy: -22.438577 where: bonds (distance) C4'-P energy: -6.021 bonds (distance) P-C4' energy: -7.230 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: 0.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -38.062440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.062440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.062440 (E_RNA) where: Base-Base interactions energy: -11.343 where: short stacking energy: -11.343 Base-Backbone interact. energy: -0.005 local terms energy: -26.714178 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -6.324 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -30.254856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.254856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.254856 (E_RNA) where: Base-Base interactions energy: -5.699 where: short stacking energy: -5.699 Base-Backbone interact. energy: -0.112 local terms energy: -24.443794 where: bonds (distance) C4'-P energy: -5.507 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -30.630910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.630910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.630910 (E_RNA) where: Base-Base interactions energy: -3.921 where: short stacking energy: -3.921 Base-Backbone interact. energy: -0.178 local terms energy: -26.531603 where: bonds (distance) C4'-P energy: -6.145 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -43.635433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.635433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.635433 (E_RNA) where: Base-Base interactions energy: -12.592 where: short stacking energy: -12.592 Base-Backbone interact. energy: -0.001 local terms energy: -31.042731 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -5.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -46.051126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.051126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.051126 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -1.392 local terms energy: -30.588975 where: bonds (distance) C4'-P energy: -6.745 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -5.037 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: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -37.657631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.657631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.657631 (E_RNA) where: Base-Base interactions energy: -8.710 where: short stacking energy: -8.710 Base-Backbone interact. energy: -0.143 local terms energy: -28.804611 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -0.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -42.616161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.616161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.616161 (E_RNA) where: Base-Base interactions energy: -11.847 where: short stacking energy: -11.847 Base-Backbone interact. energy: -0.002 local terms energy: -30.767945 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -4.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -42.452998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.452998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.452998 (E_RNA) where: Base-Base interactions energy: -14.934 where: short stacking energy: -14.934 Base-Backbone interact. energy: -0.000 local terms energy: -27.518868 where: bonds (distance) C4'-P energy: -5.453 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -5.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -37.683382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.683382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.683382 (E_RNA) where: Base-Base interactions energy: -11.984 where: short stacking energy: -11.984 Base-Backbone interact. energy: -0.088 local terms energy: -25.611927 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.064 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: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -30.364097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.364097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.364097 (E_RNA) where: Base-Base interactions energy: -3.155 where: short stacking energy: -3.155 Base-Backbone interact. energy: -0.000 local terms energy: -27.208787 where: bonds (distance) C4'-P energy: -6.235 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -3.589 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: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -32.675629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.675629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.675629 (E_RNA) where: Base-Base interactions energy: -5.817 where: short stacking energy: -5.817 Base-Backbone interact. energy: -0.297 local terms energy: -26.561455 where: bonds (distance) C4'-P energy: -5.710 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -3.432 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: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -33.931517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.931517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.931517 (E_RNA) where: Base-Base interactions energy: -8.209 where: short stacking energy: -8.209 Base-Backbone interact. energy: -0.101 local terms energy: -25.621381 where: bonds (distance) C4'-P energy: -4.770 bonds (distance) P-C4' energy: -7.301 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -4.341 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: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -33.990715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.990715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.990715 (E_RNA) where: Base-Base interactions energy: -6.524 where: short stacking energy: -6.524 Base-Backbone interact. energy: -0.095 local terms energy: -27.371528 where: bonds (distance) C4'-P energy: -5.494 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -2.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -43.428515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.428515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.428515 (E_RNA) where: Base-Base interactions energy: -13.632 where: short stacking energy: -13.632 Base-Backbone interact. energy: -0.086 local terms energy: -29.710263 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -49.428306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.428306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.428306 (E_RNA) where: Base-Base interactions energy: -20.792 where: short stacking energy: -20.792 Base-Backbone interact. energy: -0.115 local terms energy: -28.520358 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -3.500 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: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -40.685009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.685009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.685009 (E_RNA) where: Base-Base interactions energy: -12.732 where: short stacking energy: -12.732 Base-Backbone interact. energy: -0.068 local terms energy: -27.885259 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -41.984098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.984098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.984098 (E_RNA) where: Base-Base interactions energy: -10.014 where: short stacking energy: -10.014 Base-Backbone interact. energy: 0.050 local terms energy: -32.019979 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -3.408 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: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -40.464344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.464344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.464344 (E_RNA) where: Base-Base interactions energy: -9.191 where: short stacking energy: -7.477 Base-Backbone interact. energy: -0.017 local terms energy: -31.256731 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.311 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -32.793122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.793122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.793122 (E_RNA) where: Base-Base interactions energy: -8.319 where: short stacking energy: -8.319 Base-Backbone interact. energy: -0.015 local terms energy: -24.459925 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -6.236 flat angles C4'-P-C4' energy: -2.930 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -37.133368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.133368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.133368 (E_RNA) where: Base-Base interactions energy: -11.394 where: short stacking energy: -11.394 Base-Backbone interact. energy: -0.002 local terms energy: -25.737681 where: bonds (distance) C4'-P energy: -6.458 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -0.508 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -34.650645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.650645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.650645 (E_RNA) where: Base-Base interactions energy: -7.508 where: short stacking energy: -6.093 Base-Backbone interact. energy: -0.001 local terms energy: -27.141923 where: bonds (distance) C4'-P energy: -6.261 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -36.699915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.699915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.699915 (E_RNA) where: Base-Base interactions energy: -9.333 where: short stacking energy: -9.333 Base-Backbone interact. energy: -0.060 local terms energy: -27.306479 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -28.789973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.789973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.789973 (E_RNA) where: Base-Base interactions energy: -0.947 where: short stacking energy: -0.947 Base-Backbone interact. energy: -0.034 local terms energy: -27.808899 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -2.923 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: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -42.381127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.381127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.381127 (E_RNA) where: Base-Base interactions energy: -12.523 where: short stacking energy: -12.523 Base-Backbone interact. energy: -1.205 local terms energy: -28.652995 where: bonds (distance) C4'-P energy: -6.235 bonds (distance) P-C4' energy: -6.375 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -4.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -46.970413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.970413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.970413 (E_RNA) where: Base-Base interactions energy: -18.710 where: short stacking energy: -12.179 Base-Backbone interact. energy: -0.095 local terms energy: -28.165295 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -5.968 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: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -40.355104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.355104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.355104 (E_RNA) where: Base-Base interactions energy: -9.798 where: short stacking energy: -9.798 Base-Backbone interact. energy: 0.004 local terms energy: -30.560694 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -6.874 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -6.239 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: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -43.601880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.601880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.601880 (E_RNA) where: Base-Base interactions energy: -12.488 where: short stacking energy: -12.488 Base-Backbone interact. energy: -0.009 local terms energy: -31.105190 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -5.989 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: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -35.250634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.250634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.250634 (E_RNA) where: Base-Base interactions energy: -7.702 where: short stacking energy: -7.702 Base-Backbone interact. energy: -0.111 local terms energy: -27.437364 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -4.542 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: 6, replica: 7 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -39.472977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.472977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.472977 (E_RNA) where: Base-Base interactions energy: -10.595 where: short stacking energy: -10.595 Base-Backbone interact. energy: -0.043 local terms energy: -28.835507 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -5.655 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: 7, replica: 9 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -38.725556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.725556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.725556 (E_RNA) where: Base-Base interactions energy: -11.183 where: short stacking energy: -11.183 Base-Backbone interact. energy: 0.166 local terms energy: -27.708965 where: bonds (distance) C4'-P energy: -6.211 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -4.230 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: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -27.312318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.312318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.312318 (E_RNA) where: Base-Base interactions energy: -3.964 where: short stacking energy: -3.964 Base-Backbone interact. energy: 0.344 local terms energy: -23.692234 where: bonds (distance) C4'-P energy: -6.207 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -33.873393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.873393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.873393 (E_RNA) where: Base-Base interactions energy: -10.668 where: short stacking energy: -3.672 Base-Backbone interact. energy: 0.062 local terms energy: -23.267604 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -2.986 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: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -29.993174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.993174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.993174 (E_RNA) where: Base-Base interactions energy: -5.912 where: short stacking energy: -8.112 Base-Backbone interact. energy: -0.583 local terms energy: -23.498684 where: bonds (distance) C4'-P energy: -5.390 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -5.846 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: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -42.618691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.618691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.618691 (E_RNA) where: Base-Base interactions energy: -10.840 where: short stacking energy: -10.840 Base-Backbone interact. energy: 0.252 local terms energy: -32.030684 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -7.890 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -4.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -45.607130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.607130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.607130 (E_RNA) where: Base-Base interactions energy: -14.094 where: short stacking energy: -14.094 Base-Backbone interact. energy: -0.000 local terms energy: -31.513426 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -43.572697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.572697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.572697 (E_RNA) where: Base-Base interactions energy: -14.206 where: short stacking energy: -14.206 Base-Backbone interact. energy: -0.013 local terms energy: -29.352915 where: bonds (distance) C4'-P energy: -6.165 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -5.737 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: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -43.122456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.122456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.122456 (E_RNA) where: Base-Base interactions energy: -13.118 where: short stacking energy: -13.118 Base-Backbone interact. energy: -0.102 local terms energy: -29.902425 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -6.669 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -38.711905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.711905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.711905 (E_RNA) where: Base-Base interactions energy: -12.505 where: short stacking energy: -12.505 Base-Backbone interact. energy: -0.074 local terms energy: -26.132057 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -36.406068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.406068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.406068 (E_RNA) where: Base-Base interactions energy: -6.636 where: short stacking energy: -6.636 Base-Backbone interact. energy: -0.005 local terms energy: -29.764719 where: bonds (distance) C4'-P energy: -6.290 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -37.024791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.024791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.024791 (E_RNA) where: Base-Base interactions energy: -11.080 where: short stacking energy: -11.080 Base-Backbone interact. energy: -0.038 local terms energy: -25.906746 where: bonds (distance) C4'-P energy: -5.810 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -4.129 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: 8, replica: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -34.197316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.197316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.197316 (E_RNA) where: Base-Base interactions energy: -6.670 where: short stacking energy: -6.670 Base-Backbone interact. energy: -0.020 local terms energy: -27.506987 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -31.898622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.898622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.898622 (E_RNA) where: Base-Base interactions energy: -6.561 where: short stacking energy: -6.561 Base-Backbone interact. energy: -0.003 local terms energy: -25.334798 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -2.720 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: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -28.746630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.746630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.746630 (E_RNA) where: Base-Base interactions energy: -4.839 where: short stacking energy: -4.839 Base-Backbone interact. energy: 0.364 local terms energy: -24.271622 where: bonds (distance) C4'-P energy: -3.470 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.791 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: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -47.365215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.365215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.365215 (E_RNA) where: Base-Base interactions energy: -16.739 where: short stacking energy: -16.739 Base-Backbone interact. energy: -0.000 local terms energy: -30.626281 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -6.540 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -5.998 tors. eta vs tors. theta energy: -4.887 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: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -43.835606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.835606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.835606 (E_RNA) where: Base-Base interactions energy: -14.430 where: short stacking energy: -14.430 Base-Backbone interact. energy: 0.347 local terms energy: -29.752706 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -5.184 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: 307 Temperature: 1.000000 Total energy: -42.429051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.429051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.429051 (E_RNA) where: Base-Base interactions energy: -10.988 where: short stacking energy: -10.988 Base-Backbone interact. energy: -0.064 local terms energy: -31.377956 where: bonds (distance) C4'-P energy: -6.484 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -6.952 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: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -39.455822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.455822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.455822 (E_RNA) where: Base-Base interactions energy: -13.886 where: short stacking energy: -13.886 Base-Backbone interact. energy: -0.076 local terms energy: -25.493640 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -5.652 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: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -36.498921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.498921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.498921 (E_RNA) where: Base-Base interactions energy: -9.593 where: short stacking energy: -9.593 Base-Backbone interact. energy: -0.097 local terms energy: -26.809086 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -6.424 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -39.843800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.843800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.843800 (E_RNA) where: Base-Base interactions energy: -11.257 where: short stacking energy: -10.311 Base-Backbone interact. energy: -0.104 local terms energy: -28.482054 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -3.696 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: 7, replica: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -36.957942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.957942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.957942 (E_RNA) where: Base-Base interactions energy: -9.859 where: short stacking energy: -8.556 Base-Backbone interact. energy: -0.587 local terms energy: -26.511724 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -6.245 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -0.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -35.307436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.307436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.307436 (E_RNA) where: Base-Base interactions energy: -11.084 where: short stacking energy: -11.084 Base-Backbone interact. energy: -0.000 local terms energy: -24.223726 where: bonds (distance) C4'-P energy: -5.440 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -2.428 flat angles P-C4'-P energy: -5.844 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: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -36.228450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.228450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.228450 (E_RNA) where: Base-Base interactions energy: -8.957 where: short stacking energy: -8.957 Base-Backbone interact. energy: -0.044 local terms energy: -27.227515 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -3.350 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: 10, replica: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -33.249850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.249850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.249850 (E_RNA) where: Base-Base interactions energy: -5.011 where: short stacking energy: -5.011 Base-Backbone interact. energy: -0.035 local terms energy: -28.204449 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -6.111 tors. eta vs tors. theta energy: -1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -47.894188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.894188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.894188 (E_RNA) where: Base-Base interactions energy: -14.478 where: short stacking energy: -14.478 Base-Backbone interact. energy: -0.003 local terms energy: -33.413954 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -6.063 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: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -42.451622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.451622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.451622 (E_RNA) where: Base-Base interactions energy: -10.488 where: short stacking energy: -10.488 Base-Backbone interact. energy: -0.003 local terms energy: -31.961035 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -3.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -44.080727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.080727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.080727 (E_RNA) where: Base-Base interactions energy: -14.674 where: short stacking energy: -14.674 Base-Backbone interact. energy: -0.053 local terms energy: -29.354262 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -5.406 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: 4, replica: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -40.174802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.174802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.174802 (E_RNA) where: Base-Base interactions energy: -13.751 where: short stacking energy: -13.751 Base-Backbone interact. energy: -0.000 local terms energy: -26.423327 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -4.647 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: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -37.450965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.450965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.450965 (E_RNA) where: Base-Base interactions energy: -14.832 where: short stacking energy: -14.832 Base-Backbone interact. energy: -0.000 local terms energy: -22.618397 where: bonds (distance) C4'-P energy: -4.679 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -0.842 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -38.575169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.575169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.575169 (E_RNA) where: Base-Base interactions energy: -9.770 where: short stacking energy: -9.770 Base-Backbone interact. energy: -0.041 local terms energy: -28.765091 where: bonds (distance) C4'-P energy: -5.283 bonds (distance) P-C4' energy: -7.258 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -3.683 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: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -32.220109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.220109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.220109 (E_RNA) where: Base-Base interactions energy: -8.130 where: short stacking energy: -7.368 Base-Backbone interact. energy: -0.081 local terms energy: -24.008966 where: bonds (distance) C4'-P energy: -6.127 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -4.856 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: 308 Temperature: 1.250000 Total energy: -41.182737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.182737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.182737 (E_RNA) where: Base-Base interactions energy: -8.724 where: short stacking energy: -8.824 Base-Backbone interact. energy: -1.523 local terms energy: -30.935382 where: bonds (distance) C4'-P energy: -5.996 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -34.390338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.390338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.390338 (E_RNA) where: Base-Base interactions energy: -9.727 where: short stacking energy: -9.727 Base-Backbone interact. energy: -0.036 local terms energy: -24.626800 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -5.547 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: 9 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -32.453271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.453271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.453271 (E_RNA) where: Base-Base interactions energy: -9.493 where: short stacking energy: -9.493 Base-Backbone interact. energy: -0.001 local terms energy: -22.959618 where: bonds (distance) C4'-P energy: -5.872 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -4.235 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: 1, replica: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -46.698788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.698788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.698788 (E_RNA) where: Base-Base interactions energy: -17.351 where: short stacking energy: -17.351 Base-Backbone interact. energy: -0.023 local terms energy: -29.324843 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -4.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -43.608527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.608527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.608527 (E_RNA) where: Base-Base interactions energy: -16.809 where: short stacking energy: -15.246 Base-Backbone interact. energy: -0.002 local terms energy: -26.796667 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.913 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -37.584360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.584360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.584360 (E_RNA) where: Base-Base interactions energy: -9.656 where: short stacking energy: -9.656 Base-Backbone interact. energy: -0.000 local terms energy: -27.928080 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -3.305 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: 309 Temperature: 1.050000 Total energy: -45.327799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.327799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.327799 (E_RNA) where: Base-Base interactions energy: -13.318 where: short stacking energy: -14.349 Base-Backbone interact. energy: -0.808 local terms energy: -31.202111 where: bonds (distance) C4'-P energy: -5.292 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -5.382 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: 5, replica: 3 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -39.301741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.301741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.301741 (E_RNA) where: Base-Base interactions energy: -12.585 where: short stacking energy: -12.585 Base-Backbone interact. energy: -0.093 local terms energy: -26.624363 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -6.230 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -4.828 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: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -35.466333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.466333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.466333 (E_RNA) where: Base-Base interactions energy: -7.464 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.010 local terms energy: -27.992433 where: bonds (distance) C4'-P energy: -5.685 bonds (distance) P-C4' energy: -6.280 flat angles C4'-P-C4' energy: -8.398 flat angles P-C4'-P energy: -5.029 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: 7, replica: 2 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -35.440582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.440582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.440582 (E_RNA) where: Base-Base interactions energy: -7.934 where: short stacking energy: -7.934 Base-Backbone interact. energy: -0.035 local terms energy: -27.471852 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -2.567 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: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -34.334899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.334899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.334899 (E_RNA) where: Base-Base interactions energy: -8.928 where: short stacking energy: -8.928 Base-Backbone interact. energy: -0.076 local terms energy: -25.331404 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -5.392 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -6.156 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: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -31.304693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.304693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.304693 (E_RNA) where: Base-Base interactions energy: -5.735 where: short stacking energy: -5.735 Base-Backbone interact. energy: 0.233 local terms energy: -25.802324 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -5.888 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -4.321 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: 9 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -31.760832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.760832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.760832 (E_RNA) where: Base-Base interactions energy: -5.000 where: short stacking energy: -5.000 Base-Backbone interact. energy: -0.006 local terms energy: -26.754211 where: bonds (distance) C4'-P energy: -3.809 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -39.102765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.102765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.102765 (E_RNA) where: Base-Base interactions energy: -12.848 where: short stacking energy: -12.848 Base-Backbone interact. energy: -0.150 local terms energy: -26.105124 where: bonds (distance) C4'-P energy: -5.942 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -48.159578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.159578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.159578 (E_RNA) where: Base-Base interactions energy: -16.815 where: short stacking energy: -16.815 Base-Backbone interact. energy: -0.000 local terms energy: -31.344223 where: bonds (distance) C4'-P energy: -6.165 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -7.117 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: 3, replica: 1 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -39.756686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.756686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.756686 (E_RNA) where: Base-Base interactions energy: -13.056 where: short stacking energy: -13.056 Base-Backbone interact. energy: -0.034 local terms energy: -26.666832 where: bonds (distance) C4'-P energy: -6.928 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -5.666 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: 4, replica: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -38.646827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.646827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.646827 (E_RNA) where: Base-Base interactions energy: -7.519 where: short stacking energy: -7.519 Base-Backbone interact. energy: -0.000 local terms energy: -31.127556 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -39.833278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.833278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.833278 (E_RNA) where: Base-Base interactions energy: -14.651 where: short stacking energy: -14.651 Base-Backbone interact. energy: -0.004 local terms energy: -25.179041 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -7.212 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -3.483 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: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -41.289414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.289414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.289414 (E_RNA) where: Base-Base interactions energy: -10.861 where: short stacking energy: -10.861 Base-Backbone interact. energy: -0.002 local terms energy: -30.427058 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -2.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -34.586955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.586955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.586955 (E_RNA) where: Base-Base interactions energy: -8.068 where: short stacking energy: -8.076 Base-Backbone interact. energy: -0.027 local terms energy: -26.491877 where: bonds (distance) C4'-P energy: -4.025 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -3.978 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: 8, replica: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -33.497767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.497767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.497767 (E_RNA) where: Base-Base interactions energy: -6.669 where: short stacking energy: -6.669 Base-Backbone interact. energy: 1.563 local terms energy: -28.391683 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: 0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -29.409729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.409729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.409729 (E_RNA) where: Base-Base interactions energy: -3.937 where: short stacking energy: -3.937 Base-Backbone interact. energy: -0.000 local terms energy: -25.472389 where: bonds (distance) C4'-P energy: -6.003 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -1.456 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: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -31.369108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.369108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.369108 (E_RNA) where: Base-Base interactions energy: -6.768 where: short stacking energy: -5.918 Base-Backbone interact. energy: -0.015 local terms energy: -24.586189 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -5.199 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -4.164 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: 1, replica: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -41.250866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.250866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.250866 (E_RNA) where: Base-Base interactions energy: -10.736 where: short stacking energy: -10.736 Base-Backbone interact. energy: -0.018 local terms energy: -30.496367 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -4.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -42.492126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.492126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.492126 (E_RNA) where: Base-Base interactions energy: -14.860 where: short stacking energy: -14.860 Base-Backbone interact. energy: -0.033 local terms energy: -27.599193 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -3.087 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: 10 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -37.741024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.741024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.741024 (E_RNA) where: Base-Base interactions energy: -8.356 where: short stacking energy: -8.356 Base-Backbone interact. energy: -0.000 local terms energy: -29.384811 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -36.434859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.434859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.434859 (E_RNA) where: Base-Base interactions energy: -8.844 where: short stacking energy: -8.034 Base-Backbone interact. energy: -0.071 local terms energy: -27.518977 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -3.987 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: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -33.659481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.659481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.659481 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -8.054 Base-Backbone interact. energy: -0.000 local terms energy: -25.605063 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -2.947 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: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -36.206683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.206683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.206683 (E_RNA) where: Base-Base interactions energy: -12.013 where: short stacking energy: -12.013 Base-Backbone interact. energy: -0.002 local terms energy: -24.192210 where: bonds (distance) C4'-P energy: -6.546 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -3.221 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: 7, replica: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -33.467905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.467905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.467905 (E_RNA) where: Base-Base interactions energy: -8.320 where: short stacking energy: -8.320 Base-Backbone interact. energy: -0.412 local terms energy: -24.736719 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -5.789 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -4.614 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: 8, replica: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -36.136270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.136270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.136270 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: -10.144 Base-Backbone interact. energy: -0.055 local terms energy: -25.937284 where: bonds (distance) C4'-P energy: -6.352 bonds (distance) P-C4' energy: -6.908 flat angles C4'-P-C4' energy: -2.642 flat angles P-C4'-P energy: -6.267 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: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -37.881732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.881732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.881732 (E_RNA) where: Base-Base interactions energy: -8.703 where: short stacking energy: -9.637 Base-Backbone interact. energy: -0.008 local terms energy: -29.170475 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -5.564 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: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -33.004817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.004817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.004817 (E_RNA) where: Base-Base interactions energy: -6.044 where: short stacking energy: -6.044 Base-Backbone interact. energy: -0.109 local terms energy: -26.851249 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.919 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: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -48.925723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.925723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.925723 (E_RNA) where: Base-Base interactions energy: -15.024 where: short stacking energy: -12.380 Base-Backbone interact. energy: -0.013 local terms energy: -33.889521 where: bonds (distance) C4'-P energy: -4.709 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -39.975223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.975223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.975223 (E_RNA) where: Base-Base interactions energy: -11.948 where: short stacking energy: -11.948 Base-Backbone interact. energy: -0.000 local terms energy: -28.027256 where: bonds (distance) C4'-P energy: -5.445 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -2.361 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -6.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -34.125551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.125551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.125551 (E_RNA) where: Base-Base interactions energy: -7.369 where: short stacking energy: -7.316 Base-Backbone interact. energy: -0.784 local terms energy: -25.973218 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -35.691421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.691421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.691421 (E_RNA) where: Base-Base interactions energy: -8.516 where: short stacking energy: -8.516 Base-Backbone interact. energy: -0.002 local terms energy: -27.173364 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -7.112 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: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -36.456359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456359 (E_RNA) where: Base-Base interactions energy: -10.087 where: short stacking energy: -10.087 Base-Backbone interact. energy: -0.005 local terms energy: -26.364381 where: bonds (distance) C4'-P energy: -6.037 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -2.947 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: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -33.178450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.178450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.178450 (E_RNA) where: Base-Base interactions energy: -6.411 where: short stacking energy: -6.411 Base-Backbone interact. energy: -0.004 local terms energy: -26.764087 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -5.954 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -36.784307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.784307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.784307 (E_RNA) where: Base-Base interactions energy: -11.947 where: short stacking energy: -11.947 Base-Backbone interact. energy: -0.005 local terms energy: -24.831977 where: bonds (distance) C4'-P energy: -5.345 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -4.836 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: 8, replica: 3 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -35.059717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.059717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.059717 (E_RNA) where: Base-Base interactions energy: -6.891 where: short stacking energy: -6.891 Base-Backbone interact. energy: -0.039 local terms energy: -28.128992 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -34.407361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.407361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.407361 (E_RNA) where: Base-Base interactions energy: -9.776 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.284 local terms energy: -24.347281 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -5.396 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -1.587 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: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -29.402339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.402339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.402339 (E_RNA) where: Base-Base interactions energy: -5.150 where: short stacking energy: -5.150 Base-Backbone interact. energy: -0.110 local terms energy: -24.142735 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.230 flat angles P-C4'-P energy: -4.008 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: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -46.167862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.167862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.167862 (E_RNA) where: Base-Base interactions energy: -16.357 where: short stacking energy: -15.250 Base-Backbone interact. energy: -0.002 local terms energy: -29.808900 where: bonds (distance) C4'-P energy: -6.042 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -6.137 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: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -41.250212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.250212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.250212 (E_RNA) where: Base-Base interactions energy: -12.272 where: short stacking energy: -12.067 Base-Backbone interact. energy: -0.021 local terms energy: -28.956414 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -4.881 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: 313 Temperature: 1.000000 Total energy: -42.523967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.523967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.523967 (E_RNA) where: Base-Base interactions energy: -13.987 where: short stacking energy: -7.008 Base-Backbone interact. energy: -0.086 local terms energy: -28.450394 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -4.270 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: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -41.072124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.072124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.072124 (E_RNA) where: Base-Base interactions energy: -7.844 where: short stacking energy: -6.078 Base-Backbone interact. energy: -0.014 local terms energy: -33.214102 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -44.849824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.849824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.849824 (E_RNA) where: Base-Base interactions energy: -14.419 where: short stacking energy: -14.419 Base-Backbone interact. energy: 0.356 local terms energy: -30.786308 where: bonds (distance) C4'-P energy: -6.874 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -5.347 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: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -41.707665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.707665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.707665 (E_RNA) where: Base-Base interactions energy: -11.375 where: short stacking energy: -11.375 Base-Backbone interact. energy: -0.072 local terms energy: -30.260336 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -35.611507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.611507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.611507 (E_RNA) where: Base-Base interactions energy: -8.508 where: short stacking energy: -8.508 Base-Backbone interact. energy: -0.004 local terms energy: -27.099349 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -35.342280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.342280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.342280 (E_RNA) where: Base-Base interactions energy: -7.717 where: short stacking energy: -7.717 Base-Backbone interact. energy: -0.000 local terms energy: -27.625107 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -6.783 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -4.811 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: 9, replica: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -30.322330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.322330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.322330 (E_RNA) where: Base-Base interactions energy: -2.496 where: short stacking energy: -2.496 Base-Backbone interact. energy: -0.080 local terms energy: -27.746690 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -2.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -34.165843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.165843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.165843 (E_RNA) where: Base-Base interactions energy: -9.114 where: short stacking energy: -9.114 Base-Backbone interact. energy: -0.002 local terms energy: -25.050260 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -43.533991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.533991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.533991 (E_RNA) where: Base-Base interactions energy: -11.580 where: short stacking energy: -10.882 Base-Backbone interact. energy: -0.138 local terms energy: -31.815670 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -5.388 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: 2, replica: 4 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -46.269484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.269484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.269484 (E_RNA) where: Base-Base interactions energy: -11.690 where: short stacking energy: -12.632 Base-Backbone interact. energy: -1.555 local terms energy: -33.024560 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.723 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: 3, replica: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -37.115062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.115062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.115062 (E_RNA) where: Base-Base interactions energy: -9.437 where: short stacking energy: -9.437 Base-Backbone interact. energy: -0.102 local terms energy: -27.575937 where: bonds (distance) C4'-P energy: -5.026 bonds (distance) P-C4' energy: -6.822 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -45.079576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.079576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.079576 (E_RNA) where: Base-Base interactions energy: -16.770 where: short stacking energy: -16.770 Base-Backbone interact. energy: -0.050 local terms energy: -28.259620 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -32.839047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.839047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.839047 (E_RNA) where: Base-Base interactions energy: -8.434 where: short stacking energy: -8.434 Base-Backbone interact. energy: -0.187 local terms energy: -24.218239 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -1.713 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: 6, replica: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -33.801914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.801914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.801914 (E_RNA) where: Base-Base interactions energy: -6.936 where: short stacking energy: -6.936 Base-Backbone interact. energy: -0.241 local terms energy: -26.625480 where: bonds (distance) C4'-P energy: -5.905 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -33.845784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845784 (E_RNA) where: Base-Base interactions energy: -5.591 where: short stacking energy: -5.591 Base-Backbone interact. energy: -0.144 local terms energy: -28.110234 where: bonds (distance) C4'-P energy: -6.517 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -34.418591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.418591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.418591 (E_RNA) where: Base-Base interactions energy: -9.610 where: short stacking energy: -9.376 Base-Backbone interact. energy: -0.004 local terms energy: -24.804416 where: bonds (distance) C4'-P energy: -6.074 bonds (distance) P-C4' energy: -6.866 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -38.598771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.598771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.598771 (E_RNA) where: Base-Base interactions energy: -8.452 where: short stacking energy: -8.452 Base-Backbone interact. energy: -0.043 local terms energy: -30.103697 where: bonds (distance) C4'-P energy: -7.138 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -7.013 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: 314 Temperature: 1.350000 Total energy: -31.148763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.148763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.148763 (E_RNA) where: Base-Base interactions energy: -4.819 where: short stacking energy: -4.819 Base-Backbone interact. energy: -0.004 local terms energy: -26.325802 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -6.837 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -44.407033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.407033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.407033 (E_RNA) where: Base-Base interactions energy: -14.760 where: short stacking energy: -14.760 Base-Backbone interact. energy: -0.002 local terms energy: -29.645504 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -6.312 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -41.815894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.815894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.815894 (E_RNA) where: Base-Base interactions energy: -9.493 where: short stacking energy: -9.493 Base-Backbone interact. energy: -0.296 local terms energy: -32.026809 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -6.244 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: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -39.814706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.814706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.814706 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.032 local terms energy: -25.713014 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -6.087 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -41.241526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.241526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.241526 (E_RNA) where: Base-Base interactions energy: -12.718 where: short stacking energy: -12.718 Base-Backbone interact. energy: -0.047 local terms energy: -28.476472 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -35.674729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.674729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.674729 (E_RNA) where: Base-Base interactions energy: -8.174 where: short stacking energy: -8.174 Base-Backbone interact. energy: -0.000 local terms energy: -27.500773 where: bonds (distance) C4'-P energy: -4.684 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -4.648 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: 6, replica: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -33.232845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.232845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.232845 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.160 local terms energy: -25.649517 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: 0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -31.423219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.423219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.423219 (E_RNA) where: Base-Base interactions energy: -6.337 where: short stacking energy: -6.337 Base-Backbone interact. energy: -0.012 local terms energy: -25.074137 where: bonds (distance) C4'-P energy: -7.453 bonds (distance) P-C4' energy: -6.053 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: 1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -32.643383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.643383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.643383 (E_RNA) where: Base-Base interactions energy: -7.378 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.023 local terms energy: -25.242033 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -29.732205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.732205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.732205 (E_RNA) where: Base-Base interactions energy: -6.788 where: short stacking energy: -6.808 Base-Backbone interact. energy: -0.172 local terms energy: -22.771960 where: bonds (distance) C4'-P energy: -7.138 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: 3.325 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: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -36.892814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.892814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.892814 (E_RNA) where: Base-Base interactions energy: -9.061 where: short stacking energy: -9.061 Base-Backbone interact. energy: -0.000 local terms energy: -27.831954 where: bonds (distance) C4'-P energy: -5.420 bonds (distance) P-C4' energy: -6.372 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -3.962 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: 1, replica: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -43.105240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.105240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.105240 (E_RNA) where: Base-Base interactions energy: -12.831 where: short stacking energy: -12.831 Base-Backbone interact. energy: -0.000 local terms energy: -30.274072 where: bonds (distance) C4'-P energy: -5.019 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -2.985 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: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -42.424422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.424422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.424422 (E_RNA) where: Base-Base interactions energy: -12.453 where: short stacking energy: -12.453 Base-Backbone interact. energy: -0.000 local terms energy: -29.971339 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -39.037319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.037319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.037319 (E_RNA) where: Base-Base interactions energy: -10.582 where: short stacking energy: -10.582 Base-Backbone interact. energy: -0.000 local terms energy: -28.455092 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -7.032 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: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -41.635166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.635166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.635166 (E_RNA) where: Base-Base interactions energy: -9.140 where: short stacking energy: -9.140 Base-Backbone interact. energy: -0.000 local terms energy: -32.494767 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -6.703 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -36.340312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.340312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.340312 (E_RNA) where: Base-Base interactions energy: -6.476 where: short stacking energy: -6.476 Base-Backbone interact. energy: -0.721 local terms energy: -29.142911 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -6.924 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -4.727 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: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -42.731048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.731048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.731048 (E_RNA) where: Base-Base interactions energy: -12.586 where: short stacking energy: -12.586 Base-Backbone interact. energy: -0.003 local terms energy: -30.142006 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -6.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -36.760552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.760552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.760552 (E_RNA) where: Base-Base interactions energy: -8.373 where: short stacking energy: -8.373 Base-Backbone interact. energy: -0.008 local terms energy: -28.380030 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -7.675 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -1.672 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -35.854345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.854345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.854345 (E_RNA) where: Base-Base interactions energy: -13.499 where: short stacking energy: -13.499 Base-Backbone interact. energy: -0.006 local terms energy: -22.349619 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -5.885 flat angles C4'-P-C4' energy: -1.561 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -2.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -33.193196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.193196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.193196 (E_RNA) where: Base-Base interactions energy: -11.634 where: short stacking energy: -11.634 Base-Backbone interact. energy: -0.007 local terms energy: -21.551899 where: bonds (distance) C4'-P energy: -4.659 bonds (distance) P-C4' energy: -2.458 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -31.261233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.261233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.261233 (E_RNA) where: Base-Base interactions energy: -6.039 where: short stacking energy: -6.039 Base-Backbone interact. energy: -0.199 local terms energy: -25.022609 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -6.182 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.419 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: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -46.357083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.357083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.357083 (E_RNA) where: Base-Base interactions energy: -14.763 where: short stacking energy: -14.763 Base-Backbone interact. energy: -0.096 local terms energy: -31.497572 where: bonds (distance) C4'-P energy: -6.988 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -4.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -43.993365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.993365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.993365 (E_RNA) where: Base-Base interactions energy: -14.803 where: short stacking energy: -14.803 Base-Backbone interact. energy: -0.025 local terms energy: -29.165618 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -43.838977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.838977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.838977 (E_RNA) where: Base-Base interactions energy: -16.128 where: short stacking energy: -16.128 Base-Backbone interact. energy: -0.000 local terms energy: -27.711098 where: bonds (distance) C4'-P energy: -4.621 bonds (distance) P-C4' energy: -4.533 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -41.112029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.112029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.112029 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.003 local terms energy: -30.053577 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -7.352 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -40.074297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.074297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.074297 (E_RNA) where: Base-Base interactions energy: -11.676 where: short stacking energy: -11.676 Base-Backbone interact. energy: -0.000 local terms energy: -28.398374 where: bonds (distance) C4'-P energy: -3.996 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -5.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -37.533255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.533255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.533255 (E_RNA) where: Base-Base interactions energy: -7.242 where: short stacking energy: -7.242 Base-Backbone interact. energy: -0.951 local terms energy: -29.339553 where: bonds (distance) C4'-P energy: -5.577 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -3.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -37.094378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.094378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.094378 (E_RNA) where: Base-Base interactions energy: -16.260 where: short stacking energy: -16.260 Base-Backbone interact. energy: -0.005 local terms energy: -20.830089 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -7.113 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -0.908 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -36.917634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.917634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.917634 (E_RNA) where: Base-Base interactions energy: -9.164 where: short stacking energy: -9.164 Base-Backbone interact. energy: -0.059 local terms energy: -27.694545 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -2.421 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: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -33.141370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.141370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.141370 (E_RNA) where: Base-Base interactions energy: -7.308 where: short stacking energy: -5.261 Base-Backbone interact. energy: 1.214 local terms energy: -27.047389 where: bonds (distance) C4'-P energy: -6.997 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -6.344 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: 10, replica: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -30.388062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.388062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.388062 (E_RNA) where: Base-Base interactions energy: -4.155 where: short stacking energy: -4.155 Base-Backbone interact. energy: -0.000 local terms energy: -26.232995 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -3.175 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -52.226669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.226669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.226669 (E_RNA) where: Base-Base interactions energy: -19.383 where: short stacking energy: -19.383 Base-Backbone interact. energy: -0.000 local terms energy: -32.843241 where: bonds (distance) C4'-P energy: -7.113 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.821 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: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -38.305335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.305335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.305335 (E_RNA) where: Base-Base interactions energy: -9.954 where: short stacking energy: -9.954 Base-Backbone interact. energy: -0.075 local terms energy: -28.276478 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -5.336 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: 3, replica: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -45.640825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.640825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.640825 (E_RNA) where: Base-Base interactions energy: -12.754 where: short stacking energy: -12.754 Base-Backbone interact. energy: -0.000 local terms energy: -32.886281 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -7.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -44.719318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.719318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.719318 (E_RNA) where: Base-Base interactions energy: -11.717 where: short stacking energy: -10.705 Base-Backbone interact. energy: -0.517 local terms energy: -32.485334 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -6.673 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: 5, replica: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -39.766088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.766088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.766088 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.145 Base-Backbone interact. energy: -0.094 local terms energy: -31.527171 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -34.600053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.600053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.600053 (E_RNA) where: Base-Base interactions energy: -8.031 where: short stacking energy: -8.031 Base-Backbone interact. energy: -0.001 local terms energy: -26.567982 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -6.619 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -35.092369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.092369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.092369 (E_RNA) where: Base-Base interactions energy: -11.190 where: short stacking energy: -10.313 Base-Backbone interact. energy: -0.064 local terms energy: -23.838296 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.215 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -2.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -30.695206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.695206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.695206 (E_RNA) where: Base-Base interactions energy: -6.638 where: short stacking energy: -6.638 Base-Backbone interact. energy: -0.153 local terms energy: -23.903433 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -4.806 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: 9, replica: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -31.307189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.307189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.307189 (E_RNA) where: Base-Base interactions energy: -11.138 where: short stacking energy: -11.138 Base-Backbone interact. energy: -0.013 local terms energy: -20.156942 where: bonds (distance) C4'-P energy: -4.360 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: 0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -30.687022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.687022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.687022 (E_RNA) where: Base-Base interactions energy: -3.718 where: short stacking energy: -3.718 Base-Backbone interact. energy: -0.070 local terms energy: -26.898721 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -45.771158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.771158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.771158 (E_RNA) where: Base-Base interactions energy: -12.710 where: short stacking energy: -12.710 Base-Backbone interact. energy: -0.009 local terms energy: -33.052047 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -6.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -42.759086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.759086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.759086 (E_RNA) where: Base-Base interactions energy: -13.687 where: short stacking energy: -13.687 Base-Backbone interact. energy: -0.001 local terms energy: -29.071281 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -3.903 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: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -44.869712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.869712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.869712 (E_RNA) where: Base-Base interactions energy: -16.297 where: short stacking energy: -16.297 Base-Backbone interact. energy: -0.002 local terms energy: -28.570750 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -4.594 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: 4, replica: 7 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -40.025267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.025267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.025267 (E_RNA) where: Base-Base interactions energy: -15.009 where: short stacking energy: -15.009 Base-Backbone interact. energy: -0.049 local terms energy: -24.967294 where: bonds (distance) C4'-P energy: -3.436 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -4.959 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: 5, replica: 4 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -40.162842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.162842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.162842 (E_RNA) where: Base-Base interactions energy: -12.693 where: short stacking energy: -12.693 Base-Backbone interact. energy: -0.000 local terms energy: -27.469321 where: bonds (distance) C4'-P energy: -4.265 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -32.419203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.419203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.419203 (E_RNA) where: Base-Base interactions energy: -8.184 where: short stacking energy: -8.184 Base-Backbone interact. energy: -0.033 local terms energy: -24.201942 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.022 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: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -30.905826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.905826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.905826 (E_RNA) where: Base-Base interactions energy: -5.472 where: short stacking energy: -5.472 Base-Backbone interact. energy: -0.098 local terms energy: -25.336416 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -4.926 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: 3 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -36.385989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.385989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.385989 (E_RNA) where: Base-Base interactions energy: -12.167 where: short stacking energy: -12.167 Base-Backbone interact. energy: -0.044 local terms energy: -24.175208 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -1.126 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: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -35.294084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.294084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.294084 (E_RNA) where: Base-Base interactions energy: -6.849 where: short stacking energy: -6.849 Base-Backbone interact. energy: -0.001 local terms energy: -28.443911 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -2.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -35.089822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.089822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.089822 (E_RNA) where: Base-Base interactions energy: -10.773 where: short stacking energy: -10.773 Base-Backbone interact. energy: -0.088 local terms energy: -24.228840 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -42.059872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.059872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.059872 (E_RNA) where: Base-Base interactions energy: -10.799 where: short stacking energy: -10.799 Base-Backbone interact. energy: -0.004 local terms energy: -31.256983 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -3.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -42.329340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.329340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.329340 (E_RNA) where: Base-Base interactions energy: -9.892 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.035 local terms energy: -32.401977 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -5.425 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: 3, replica: 6 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -37.219497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.219497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.219497 (E_RNA) where: Base-Base interactions energy: -9.004 where: short stacking energy: -9.004 Base-Backbone interact. energy: -0.082 local terms energy: -28.133483 where: bonds (distance) C4'-P energy: -6.186 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -1.979 tors. eta vs tors. theta energy: -4.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -36.407719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.407719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.407719 (E_RNA) where: Base-Base interactions energy: -8.226 where: short stacking energy: -8.226 Base-Backbone interact. energy: -0.000 local terms energy: -28.181222 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -3.934 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: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -39.736824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.736824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.736824 (E_RNA) where: Base-Base interactions energy: -15.319 where: short stacking energy: -15.319 Base-Backbone interact. energy: -0.119 local terms energy: -24.299018 where: bonds (distance) C4'-P energy: -3.710 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -1.041 tors. eta vs tors. theta energy: -5.222 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: 4 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -34.010360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.010360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.010360 (E_RNA) where: Base-Base interactions energy: -9.108 where: short stacking energy: -9.108 Base-Backbone interact. energy: -0.040 local terms energy: -24.861897 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -32.516915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.516915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.516915 (E_RNA) where: Base-Base interactions energy: -4.706 where: short stacking energy: -4.706 Base-Backbone interact. energy: -0.054 local terms energy: -27.757343 where: bonds (distance) C4'-P energy: -5.810 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -39.214460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.214460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.214460 (E_RNA) where: Base-Base interactions energy: -10.808 where: short stacking energy: -10.808 Base-Backbone interact. energy: -0.002 local terms energy: -28.404226 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -4.795 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: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -31.572335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.572335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.572335 (E_RNA) where: Base-Base interactions energy: -9.324 where: short stacking energy: -6.113 Base-Backbone interact. energy: -0.048 local terms energy: -22.201139 where: bonds (distance) C4'-P energy: -6.662 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.154 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: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -28.973832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.973832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.973832 (E_RNA) where: Base-Base interactions energy: -4.216 where: short stacking energy: -4.216 Base-Backbone interact. energy: -0.096 local terms energy: -24.661405 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -2.782 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: 1, replica: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -49.062063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.062063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.062063 (E_RNA) where: Base-Base interactions energy: -18.032 where: short stacking energy: -18.032 Base-Backbone interact. energy: -0.000 local terms energy: -31.030463 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -4.004 tors. eta vs tors. theta energy: -7.011 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: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -43.575451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.575451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.575451 (E_RNA) where: Base-Base interactions energy: -13.757 where: short stacking energy: -13.757 Base-Backbone interact. energy: -0.047 local terms energy: -29.771301 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -3.519 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: 3, replica: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -35.903702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.903702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.903702 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.100 local terms energy: -29.244296 where: bonds (distance) C4'-P energy: -6.729 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -39.874497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.874497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.874497 (E_RNA) where: Base-Base interactions energy: -10.936 where: short stacking energy: -10.936 Base-Backbone interact. energy: -0.014 local terms energy: -28.924734 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -36.061579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.061579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.061579 (E_RNA) where: Base-Base interactions energy: -8.602 where: short stacking energy: -8.602 Base-Backbone interact. energy: -0.060 local terms energy: -27.399766 where: bonds (distance) C4'-P energy: -6.261 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -1.674 tors. eta vs tors. theta energy: -4.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -44.787961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.787961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.787961 (E_RNA) where: Base-Base interactions energy: -12.296 where: short stacking energy: -12.296 Base-Backbone interact. energy: -0.001 local terms energy: -32.491278 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.970 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -3.684 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: 7, replica: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -37.767015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.767015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.767015 (E_RNA) where: Base-Base interactions energy: -10.566 where: short stacking energy: -10.566 Base-Backbone interact. energy: -0.183 local terms energy: -27.018083 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.231 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -5.782 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: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -34.188050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.188050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.188050 (E_RNA) where: Base-Base interactions energy: -11.631 where: short stacking energy: -11.631 Base-Backbone interact. energy: -0.001 local terms energy: -22.555540 where: bonds (distance) C4'-P energy: -5.160 bonds (distance) P-C4' energy: -3.384 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -33.698448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.698448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.698448 (E_RNA) where: Base-Base interactions energy: -8.142 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.014 local terms energy: -25.542000 where: bonds (distance) C4'-P energy: -6.136 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -0.088 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -34.816247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.816247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.816247 (E_RNA) where: Base-Base interactions energy: -10.637 where: short stacking energy: -10.637 Base-Backbone interact. energy: -0.345 local terms energy: -23.833611 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -4.567 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: 1, replica: 6 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -44.906300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.906300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.906300 (E_RNA) where: Base-Base interactions energy: -13.700 where: short stacking energy: -13.700 Base-Backbone interact. energy: -0.064 local terms energy: -31.141697 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -7.464 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -55.442257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.442257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.442257 (E_RNA) where: Base-Base interactions energy: -21.446 where: short stacking energy: -20.725 Base-Backbone interact. energy: -0.000 local terms energy: -33.996372 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -8.168 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -7.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -42.057779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.057779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.057779 (E_RNA) where: Base-Base interactions energy: -16.019 where: short stacking energy: -16.019 Base-Backbone interact. energy: -0.002 local terms energy: -26.036567 where: bonds (distance) C4'-P energy: -4.484 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -3.939 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -5.432 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: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -39.630594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.630594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.630594 (E_RNA) where: Base-Base interactions energy: -7.904 where: short stacking energy: -7.904 Base-Backbone interact. energy: -0.002 local terms energy: -31.724237 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -4.347 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: 5, replica: 3 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -37.438941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.438941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.438941 (E_RNA) where: Base-Base interactions energy: -10.625 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.001 local terms energy: -26.813293 where: bonds (distance) C4'-P energy: -6.128 bonds (distance) P-C4' energy: -4.135 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -5.015 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: 6, replica: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -36.871503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.871503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.871503 (E_RNA) where: Base-Base interactions energy: -11.427 where: short stacking energy: -11.427 Base-Backbone interact. energy: -0.005 local terms energy: -25.440249 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -3.917 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -5.468 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: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -32.961255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.961255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.961255 (E_RNA) where: Base-Base interactions energy: -7.600 where: short stacking energy: -7.600 Base-Backbone interact. energy: -0.017 local terms energy: -25.344635 where: bonds (distance) C4'-P energy: -4.575 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -3.674 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: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -32.063940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.063940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.063940 (E_RNA) where: Base-Base interactions energy: -4.402 where: short stacking energy: -4.602 Base-Backbone interact. energy: -0.638 local terms energy: -27.023604 where: bonds (distance) C4'-P energy: -6.211 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -4.063 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: 9, replica: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -30.596998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.596998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.596998 (E_RNA) where: Base-Base interactions energy: -6.044 where: short stacking energy: -6.044 Base-Backbone interact. energy: -0.027 local terms energy: -24.526152 where: bonds (distance) C4'-P energy: -5.428 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -5.574 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: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -32.678831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.678831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.678831 (E_RNA) where: Base-Base interactions energy: -8.199 where: short stacking energy: -8.199 Base-Backbone interact. energy: -0.056 local terms energy: -24.424044 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -42.475074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.475074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.475074 (E_RNA) where: Base-Base interactions energy: -9.780 where: short stacking energy: -9.780 Base-Backbone interact. energy: -0.120 local terms energy: -32.575620 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -5.662 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: 2, replica: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -41.015522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.015522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.015522 (E_RNA) where: Base-Base interactions energy: -12.834 where: short stacking energy: -10.817 Base-Backbone interact. energy: -0.005 local terms energy: -28.176732 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -4.992 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -2.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -37.425404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.425404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.425404 (E_RNA) where: Base-Base interactions energy: -9.383 where: short stacking energy: -9.383 Base-Backbone interact. energy: -0.000 local terms energy: -28.042082 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -3.544 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: 3 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -35.921016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.921016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.921016 (E_RNA) where: Base-Base interactions energy: -9.709 where: short stacking energy: -9.709 Base-Backbone interact. energy: -0.053 local terms energy: -26.158879 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -4.783 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: 5, replica: 9 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -40.946395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.946395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.946395 (E_RNA) where: Base-Base interactions energy: -11.344 where: short stacking energy: -11.344 Base-Backbone interact. energy: -0.000 local terms energy: -29.602289 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -36.573381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.573381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.573381 (E_RNA) where: Base-Base interactions energy: -10.853 where: short stacking energy: -10.976 Base-Backbone interact. energy: -0.021 local terms energy: -25.699789 where: bonds (distance) C4'-P energy: -5.135 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -5.490 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: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -40.498551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.498551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.498551 (E_RNA) where: Base-Base interactions energy: -9.977 where: short stacking energy: -9.977 Base-Backbone interact. energy: -0.057 local terms energy: -30.464802 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -34.681030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.681030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.681030 (E_RNA) where: Base-Base interactions energy: -7.577 where: short stacking energy: -7.577 Base-Backbone interact. energy: -0.080 local terms energy: -27.023583 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -4.634 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: 323 Temperature: 1.300000 Total energy: -32.789110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.789110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.789110 (E_RNA) where: Base-Base interactions energy: -4.664 where: short stacking energy: -3.513 Base-Backbone interact. energy: -0.199 local terms energy: -27.926140 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -4.745 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: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -35.875424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.875424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.875424 (E_RNA) where: Base-Base interactions energy: -9.313 where: short stacking energy: -9.313 Base-Backbone interact. energy: -0.000 local terms energy: -26.562078 where: bonds (distance) C4'-P energy: -4.556 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -48.573478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.573478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.573478 (E_RNA) where: Base-Base interactions energy: -13.833 where: short stacking energy: -13.833 Base-Backbone interact. energy: -0.448 local terms energy: -34.292048 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -7.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -38.416526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.416526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.416526 (E_RNA) where: Base-Base interactions energy: -10.397 where: short stacking energy: -10.397 Base-Backbone interact. energy: -1.145 local terms energy: -26.874531 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -4.309 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: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -40.829622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.829622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.829622 (E_RNA) where: Base-Base interactions energy: -12.445 where: short stacking energy: -12.445 Base-Backbone interact. energy: -0.088 local terms energy: -28.296787 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -39.864484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.864484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.864484 (E_RNA) where: Base-Base interactions energy: -9.805 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.827 local terms energy: -29.232842 where: bonds (distance) C4'-P energy: -5.453 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -34.000443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.000443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.000443 (E_RNA) where: Base-Base interactions energy: -6.911 where: short stacking energy: -6.911 Base-Backbone interact. energy: -0.183 local terms energy: -26.906449 where: bonds (distance) C4'-P energy: -6.687 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -4.458 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: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -34.550995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.550995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.550995 (E_RNA) where: Base-Base interactions energy: -10.022 where: short stacking energy: -10.022 Base-Backbone interact. energy: -0.006 local terms energy: -24.522633 where: bonds (distance) C4'-P energy: -4.459 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -3.617 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: 7, replica: 10 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -35.926783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.926783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.926783 (E_RNA) where: Base-Base interactions energy: -9.853 where: short stacking energy: -9.853 Base-Backbone interact. energy: -0.067 local terms energy: -26.006845 where: bonds (distance) C4'-P energy: -5.772 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -5.159 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: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -30.296508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.296508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.296508 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -7.632 Base-Backbone interact. energy: -0.089 local terms energy: -22.575439 where: bonds (distance) C4'-P energy: -6.136 bonds (distance) P-C4' energy: -6.087 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.996 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: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -31.008989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.008989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.008989 (E_RNA) where: Base-Base interactions energy: -3.227 where: short stacking energy: -3.227 Base-Backbone interact. energy: -0.180 local terms energy: -27.602029 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -5.448 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: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -33.864298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.864298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.864298 (E_RNA) where: Base-Base interactions energy: -9.824 where: short stacking energy: -9.824 Base-Backbone interact. energy: -0.033 local terms energy: -24.006413 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.760 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -42.286779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.286779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.286779 (E_RNA) where: Base-Base interactions energy: -9.418 where: short stacking energy: -9.418 Base-Backbone interact. energy: -0.763 local terms energy: -32.105800 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -7.397 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -6.911 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: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -42.781640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.781640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.781640 (E_RNA) where: Base-Base interactions energy: -12.900 where: short stacking energy: -12.900 Base-Backbone interact. energy: -0.001 local terms energy: -29.881037 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -3.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -47.691921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.691921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.691921 (E_RNA) where: Base-Base interactions energy: -17.278 where: short stacking energy: -17.278 Base-Backbone interact. energy: -0.009 local terms energy: -30.404751 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -38.315628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.315628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.315628 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.005 local terms energy: -27.476968 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: 0.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -35.582116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.582116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.582116 (E_RNA) where: Base-Base interactions energy: -6.254 where: short stacking energy: -6.254 Base-Backbone interact. energy: -0.000 local terms energy: -29.327546 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -5.466 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: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -41.628892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.628892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.628892 (E_RNA) where: Base-Base interactions energy: -14.790 where: short stacking energy: -14.790 Base-Backbone interact. energy: -0.084 local terms energy: -26.754193 where: bonds (distance) C4'-P energy: -6.314 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -33.762682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.762682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.762682 (E_RNA) where: Base-Base interactions energy: -8.856 where: short stacking energy: -8.856 Base-Backbone interact. energy: -0.080 local terms energy: -24.826756 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -4.448 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: 8, replica: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -30.943956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.943956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.943956 (E_RNA) where: Base-Base interactions energy: -11.020 where: short stacking energy: -11.020 Base-Backbone interact. energy: -0.191 local terms energy: -19.733559 where: bonds (distance) C4'-P energy: -5.338 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -1.202 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -30.619344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.619344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.619344 (E_RNA) where: Base-Base interactions energy: -0.014 where: short stacking energy: -0.014 Base-Backbone interact. energy: -0.011 local terms energy: -30.594170 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -6.045 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: 10, replica: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -29.398233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.398233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.398233 (E_RNA) where: Base-Base interactions energy: -7.194 where: short stacking energy: -7.194 Base-Backbone interact. energy: -0.053 local terms energy: -22.151354 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: 0.363 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -47.886884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.886884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.886884 (E_RNA) where: Base-Base interactions energy: -18.874 where: short stacking energy: -18.874 Base-Backbone interact. energy: -0.004 local terms energy: -29.008469 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -3.816 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: 2, replica: 7 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -45.264576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.264576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.264576 (E_RNA) where: Base-Base interactions energy: -13.388 where: short stacking energy: -13.388 Base-Backbone interact. energy: -0.000 local terms energy: -31.876299 where: bonds (distance) C4'-P energy: -5.698 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -36.235178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.235178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.235178 (E_RNA) where: Base-Base interactions energy: -9.587 where: short stacking energy: -9.587 Base-Backbone interact. energy: -0.002 local terms energy: -26.645221 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -3.552 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: 4, replica: 6 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -43.031489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.031489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.031489 (E_RNA) where: Base-Base interactions energy: -11.734 where: short stacking energy: -11.734 Base-Backbone interact. energy: -0.000 local terms energy: -31.297338 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -5.334 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: 5, replica: 10 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -34.209704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.209704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.209704 (E_RNA) where: Base-Base interactions energy: -11.238 where: short stacking energy: -9.544 Base-Backbone interact. energy: -0.061 local terms energy: -22.910835 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -35.315842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.315842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.315842 (E_RNA) where: Base-Base interactions energy: -6.299 where: short stacking energy: -6.299 Base-Backbone interact. energy: -0.028 local terms energy: -28.988512 where: bonds (distance) C4'-P energy: -7.515 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -31.847966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.847966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.847966 (E_RNA) where: Base-Base interactions energy: -6.020 where: short stacking energy: -6.020 Base-Backbone interact. energy: -0.099 local terms energy: -25.729316 where: bonds (distance) C4'-P energy: -5.089 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -2.848 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -37.720615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.720615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.720615 (E_RNA) where: Base-Base interactions energy: -6.246 where: short stacking energy: -6.246 Base-Backbone interact. energy: -0.000 local terms energy: -31.474717 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -38.407296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.407296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.407296 (E_RNA) where: Base-Base interactions energy: -8.962 where: short stacking energy: -8.962 Base-Backbone interact. energy: -0.118 local terms energy: -29.327152 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -28.928083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.928083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.928083 (E_RNA) where: Base-Base interactions energy: -3.047 where: short stacking energy: -3.047 Base-Backbone interact. energy: -0.043 local terms energy: -25.838177 where: bonds (distance) C4'-P energy: -5.350 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -3.871 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: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -49.098066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.098066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.098066 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.000 local terms energy: -36.806858 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -8.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -39.868638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.868638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.868638 (E_RNA) where: Base-Base interactions energy: -13.785 where: short stacking energy: -13.785 Base-Backbone interact. energy: -0.001 local terms energy: -26.082326 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -5.363 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: 3, replica: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -45.068645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.068645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.068645 (E_RNA) where: Base-Base interactions energy: -14.345 where: short stacking energy: -14.345 Base-Backbone interact. energy: 0.112 local terms energy: -30.836392 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -7.224 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -4.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -43.935667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.935667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.935667 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.000 local terms energy: -31.986358 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -34.776299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.776299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.776299 (E_RNA) where: Base-Base interactions energy: -8.239 where: short stacking energy: -7.446 Base-Backbone interact. energy: -0.230 local terms energy: -26.307368 where: bonds (distance) C4'-P energy: -5.677 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -2.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -36.624008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.624008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.624008 (E_RNA) where: Base-Base interactions energy: -8.260 where: short stacking energy: -8.260 Base-Backbone interact. energy: -0.042 local terms energy: -28.322287 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -5.140 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: 1 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -34.198812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.198812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.198812 (E_RNA) where: Base-Base interactions energy: -5.879 where: short stacking energy: -5.871 Base-Backbone interact. energy: -0.106 local terms energy: -28.213797 where: bonds (distance) C4'-P energy: -6.890 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -6.173 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: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -32.798453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.798453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.798453 (E_RNA) where: Base-Base interactions energy: -6.536 where: short stacking energy: -6.536 Base-Backbone interact. energy: -0.042 local terms energy: -26.220898 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: 0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -32.523192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.523192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.523192 (E_RNA) where: Base-Base interactions energy: -7.013 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.010 local terms energy: -25.500198 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -5.954 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -3.414 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: 10, replica: 5 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -33.348279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.348279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.348279 (E_RNA) where: Base-Base interactions energy: -7.785 where: short stacking energy: -7.785 Base-Backbone interact. energy: -0.100 local terms energy: -25.462998 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -5.236 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: 1, replica: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -45.158439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.158439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.158439 (E_RNA) where: Base-Base interactions energy: -13.885 where: short stacking energy: -13.885 Base-Backbone interact. energy: -0.005 local terms energy: -31.269062 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -7.258 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -4.406 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: 2, replica: 3 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -47.547026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.547026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.547026 (E_RNA) where: Base-Base interactions energy: -17.388 where: short stacking energy: -17.388 Base-Backbone interact. energy: -0.000 local terms energy: -30.159009 where: bonds (distance) C4'-P energy: -5.433 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -4.607 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: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -41.165444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.165444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.165444 (E_RNA) where: Base-Base interactions energy: -14.084 where: short stacking energy: -14.084 Base-Backbone interact. energy: -0.088 local terms energy: -26.993076 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.224 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -4.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -43.387090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.387090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.387090 (E_RNA) where: Base-Base interactions energy: -13.394 where: short stacking energy: -13.394 Base-Backbone interact. energy: -0.001 local terms energy: -29.992716 where: bonds (distance) C4'-P energy: -4.457 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -4.876 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: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -39.978113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.978113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.978113 (E_RNA) where: Base-Base interactions energy: -7.236 where: short stacking energy: -7.236 Base-Backbone interact. energy: -0.099 local terms energy: -32.643424 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -6.703 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -35.809833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.809833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.809833 (E_RNA) where: Base-Base interactions energy: -8.487 where: short stacking energy: -8.487 Base-Backbone interact. energy: -0.118 local terms energy: -27.205110 where: bonds (distance) C4'-P energy: -6.597 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -40.716812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.716812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.716812 (E_RNA) where: Base-Base interactions energy: -14.665 where: short stacking energy: -14.665 Base-Backbone interact. energy: -0.009 local terms energy: -26.042389 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -5.366 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: 8, replica: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -32.184927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.184927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.184927 (E_RNA) where: Base-Base interactions energy: -9.063 where: short stacking energy: -9.063 Base-Backbone interact. energy: -0.083 local terms energy: -23.038675 where: bonds (distance) C4'-P energy: -5.313 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -1.666 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: 9, replica: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -30.916493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.916493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.916493 (E_RNA) where: Base-Base interactions energy: -4.469 where: short stacking energy: -4.469 Base-Backbone interact. energy: -0.048 local terms energy: -26.399086 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -33.749508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.749508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.749508 (E_RNA) where: Base-Base interactions energy: -8.669 where: short stacking energy: -7.920 Base-Backbone interact. energy: -0.004 local terms energy: -25.075911 where: bonds (distance) C4'-P energy: -6.988 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -4.188 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: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -48.554359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.554359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.554359 (E_RNA) where: Base-Base interactions energy: -19.006 where: short stacking energy: -19.006 Base-Backbone interact. energy: -0.081 local terms energy: -29.466900 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -47.379371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.379371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.379371 (E_RNA) where: Base-Base interactions energy: -13.987 where: short stacking energy: -13.987 Base-Backbone interact. energy: -0.068 local terms energy: -33.324595 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -34.669840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.669840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.669840 (E_RNA) where: Base-Base interactions energy: -7.687 where: short stacking energy: -8.686 Base-Backbone interact. energy: -0.100 local terms energy: -26.882848 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -37.061775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.061775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.061775 (E_RNA) where: Base-Base interactions energy: -10.457 where: short stacking energy: -8.495 Base-Backbone interact. energy: -0.099 local terms energy: -26.505475 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -4.137 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: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -42.181599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.181599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.181599 (E_RNA) where: Base-Base interactions energy: -11.464 where: short stacking energy: -11.464 Base-Backbone interact. energy: -0.158 local terms energy: -30.559606 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -6.022 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -35.260713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.260713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.260713 (E_RNA) where: Base-Base interactions energy: -11.360 where: short stacking energy: -11.360 Base-Backbone interact. energy: -0.000 local terms energy: -23.900933 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -6.973 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -1.939 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -36.301070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.301070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.301070 (E_RNA) where: Base-Base interactions energy: -6.919 where: short stacking energy: -6.919 Base-Backbone interact. energy: -0.001 local terms energy: -29.381960 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -35.568095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.568095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.568095 (E_RNA) where: Base-Base interactions energy: -10.211 where: short stacking energy: -10.211 Base-Backbone interact. energy: -0.233 local terms energy: -25.124263 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -2.824 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: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -27.587007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.587007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.587007 (E_RNA) where: Base-Base interactions energy: -6.185 where: short stacking energy: -6.185 Base-Backbone interact. energy: -0.024 local terms energy: -21.377995 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -1.957 flat angles P-C4'-P energy: -3.514 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: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -29.809749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.809749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.809749 (E_RNA) where: Base-Base interactions energy: -8.894 where: short stacking energy: -8.894 Base-Backbone interact. energy: -0.126 local terms energy: -20.789579 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -3.948 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: 1, replica: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -43.955652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.955652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.955652 (E_RNA) where: Base-Base interactions energy: -14.349 where: short stacking energy: -14.349 Base-Backbone interact. energy: -0.000 local terms energy: -29.606859 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -46.160588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.160588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.160588 (E_RNA) where: Base-Base interactions energy: -14.893 where: short stacking energy: -13.195 Base-Backbone interact. energy: -0.080 local terms energy: -31.187477 where: bonds (distance) C4'-P energy: -4.910 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -4.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -33.841288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.841288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.841288 (E_RNA) where: Base-Base interactions energy: -6.272 where: short stacking energy: -6.272 Base-Backbone interact. energy: -0.099 local terms energy: -27.469476 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -6.543 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: 4, replica: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -40.683184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.683184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.683184 (E_RNA) where: Base-Base interactions energy: -11.078 where: short stacking energy: -11.078 Base-Backbone interact. energy: -0.106 local terms energy: -29.499369 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -5.625 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -37.378305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.378305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.378305 (E_RNA) where: Base-Base interactions energy: -7.934 where: short stacking energy: -7.934 Base-Backbone interact. energy: -0.000 local terms energy: -29.444413 where: bonds (distance) C4'-P energy: -6.642 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -5.055 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: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -37.610393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.610393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.610393 (E_RNA) where: Base-Base interactions energy: -11.304 where: short stacking energy: -11.304 Base-Backbone interact. energy: -0.036 local terms energy: -26.269792 where: bonds (distance) C4'-P energy: -7.440 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -35.460375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.460375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.460375 (E_RNA) where: Base-Base interactions energy: -6.738 where: short stacking energy: -6.738 Base-Backbone interact. energy: -0.013 local terms energy: -28.709292 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -1.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -36.127566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.127566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.127566 (E_RNA) where: Base-Base interactions energy: -13.445 where: short stacking energy: -13.445 Base-Backbone interact. energy: -0.001 local terms energy: -22.681863 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -3.859 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -1.997 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: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -33.620773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.620773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.620773 (E_RNA) where: Base-Base interactions energy: -7.555 where: short stacking energy: -7.555 Base-Backbone interact. energy: -0.015 local terms energy: -26.050310 where: bonds (distance) C4'-P energy: -5.751 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -33.114931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.114931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.114931 (E_RNA) where: Base-Base interactions energy: -7.818 where: short stacking energy: -6.380 Base-Backbone interact. energy: 0.058 local terms energy: -25.354275 where: bonds (distance) C4'-P energy: -7.871 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -48.777318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.777318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.777318 (E_RNA) where: Base-Base interactions energy: -19.023 where: short stacking energy: -19.023 Base-Backbone interact. energy: -0.016 local terms energy: -29.738030 where: bonds (distance) C4'-P energy: -3.115 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -51.018453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.018453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.018453 (E_RNA) where: Base-Base interactions energy: -14.998 where: short stacking energy: -14.998 Base-Backbone interact. energy: -0.000 local terms energy: -36.019843 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -8.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -46.586703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.586703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.586703 (E_RNA) where: Base-Base interactions energy: -15.805 where: short stacking energy: -16.205 Base-Backbone interact. energy: -0.214 local terms energy: -30.567424 where: bonds (distance) C4'-P energy: -5.462 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -4.396 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: 4, replica: 6 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -46.853323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.853323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.853323 (E_RNA) where: Base-Base interactions energy: -15.847 where: short stacking energy: -15.847 Base-Backbone interact. energy: -0.000 local terms energy: -31.005895 where: bonds (distance) C4'-P energy: -5.967 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -2.327 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -38.087070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.087070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.087070 (E_RNA) where: Base-Base interactions energy: -9.929 where: short stacking energy: -8.257 Base-Backbone interact. energy: -0.096 local terms energy: -28.062506 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -5.295 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: 6, replica: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -33.724212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.724212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.724212 (E_RNA) where: Base-Base interactions energy: -7.415 where: short stacking energy: -7.415 Base-Backbone interact. energy: -0.004 local terms energy: -26.304842 where: bonds (distance) C4'-P energy: -5.913 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -4.823 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: 7, replica: 7 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -36.980798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.980798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.980798 (E_RNA) where: Base-Base interactions energy: -12.926 where: short stacking energy: -12.926 Base-Backbone interact. energy: -0.009 local terms energy: -24.045471 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.025 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: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -33.401764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.401764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.401764 (E_RNA) where: Base-Base interactions energy: -10.493 where: short stacking energy: -10.493 Base-Backbone interact. energy: -0.000 local terms energy: -22.908289 where: bonds (distance) C4'-P energy: -4.228 bonds (distance) P-C4' energy: -5.500 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -1.202 tors. eta vs tors. theta energy: -4.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -31.628236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.628236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.628236 (E_RNA) where: Base-Base interactions energy: -6.019 where: short stacking energy: -6.019 Base-Backbone interact. energy: -0.123 local terms energy: -25.486647 where: bonds (distance) C4'-P energy: -5.540 bonds (distance) P-C4' energy: -4.169 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -4.348 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: 10, replica: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -30.774266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.774266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.774266 (E_RNA) where: Base-Base interactions energy: -6.964 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.002 local terms energy: -23.808642 where: bonds (distance) C4'-P energy: -5.072 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -6.272 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: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -47.822687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.822687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.822687 (E_RNA) where: Base-Base interactions energy: -17.354 where: short stacking energy: -17.354 Base-Backbone interact. energy: -0.000 local terms energy: -30.468362 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -7.189 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: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -40.763296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.763296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.763296 (E_RNA) where: Base-Base interactions energy: -10.066 where: short stacking energy: -10.066 Base-Backbone interact. energy: -0.020 local terms energy: -30.677105 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -42.046937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.046937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.046937 (E_RNA) where: Base-Base interactions energy: -10.868 where: short stacking energy: -10.868 Base-Backbone interact. energy: -0.001 local terms energy: -31.178171 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -5.829 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: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -37.970366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.970366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.970366 (E_RNA) where: Base-Base interactions energy: -10.274 where: short stacking energy: -10.274 Base-Backbone interact. energy: -0.038 local terms energy: -27.658108 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -5.235 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: 5, replica: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -35.941993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.941993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.941993 (E_RNA) where: Base-Base interactions energy: -7.407 where: short stacking energy: -7.407 Base-Backbone interact. energy: -0.063 local terms energy: -28.472087 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -37.293937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.293937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.293937 (E_RNA) where: Base-Base interactions energy: -9.122 where: short stacking energy: -9.122 Base-Backbone interact. energy: -0.002 local terms energy: -28.169839 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -1.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -35.127051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.127051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.127051 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.033 local terms energy: -27.576650 where: bonds (distance) C4'-P energy: -7.076 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -33.104228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.104228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.104228 (E_RNA) where: Base-Base interactions energy: -9.066 where: short stacking energy: -9.066 Base-Backbone interact. energy: -0.000 local terms energy: -24.037425 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -6.994 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: -2.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -35.166707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.166707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.166707 (E_RNA) where: Base-Base interactions energy: -11.656 where: short stacking energy: -11.656 Base-Backbone interact. energy: -0.018 local terms energy: -23.492389 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -2.297 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -32.707703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.707703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.707703 (E_RNA) where: Base-Base interactions energy: -11.442 where: short stacking energy: -11.442 Base-Backbone interact. energy: -0.336 local terms energy: -20.929817 where: bonds (distance) C4'-P energy: -3.552 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -2.366 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: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -50.580950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.580950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.580950 (E_RNA) where: Base-Base interactions energy: -19.098 where: short stacking energy: -19.098 Base-Backbone interact. energy: -0.001 local terms energy: -31.482059 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -5.148 tors. eta vs tors. theta energy: -7.127 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: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -42.682378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.682378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.682378 (E_RNA) where: Base-Base interactions energy: -9.580 where: short stacking energy: -9.580 Base-Backbone interact. energy: -0.029 local terms energy: -33.073680 where: bonds (distance) C4'-P energy: -6.497 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.589 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -6.230 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: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -41.899893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.899893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.899893 (E_RNA) where: Base-Base interactions energy: -13.940 where: short stacking energy: -13.940 Base-Backbone interact. energy: -0.690 local terms energy: -27.269656 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -36.300777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.300777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.300777 (E_RNA) where: Base-Base interactions energy: -7.987 where: short stacking energy: -7.987 Base-Backbone interact. energy: -0.009 local terms energy: -28.304596 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -33.681936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.681936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.681936 (E_RNA) where: Base-Base interactions energy: -8.471 where: short stacking energy: -8.217 Base-Backbone interact. energy: -0.086 local terms energy: -25.124879 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -33.275044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.275044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.275044 (E_RNA) where: Base-Base interactions energy: -4.281 where: short stacking energy: -4.281 Base-Backbone interact. energy: -0.005 local terms energy: -28.988780 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -4.691 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: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -34.040005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.040005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.040005 (E_RNA) where: Base-Base interactions energy: -10.979 where: short stacking energy: -9.155 Base-Backbone interact. energy: -0.100 local terms energy: -22.961062 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: 0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -38.822499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.822499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.822499 (E_RNA) where: Base-Base interactions energy: -7.368 where: short stacking energy: -7.368 Base-Backbone interact. energy: -0.022 local terms energy: -31.431860 where: bonds (distance) C4'-P energy: -5.044 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -5.368 tors. eta vs tors. theta energy: -5.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -34.648488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.648488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.648488 (E_RNA) where: Base-Base interactions energy: -6.828 where: short stacking energy: -6.828 Base-Backbone interact. energy: -0.000 local terms energy: -27.819958 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -6.601 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -31.203838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.203838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.203838 (E_RNA) where: Base-Base interactions energy: -3.547 where: short stacking energy: -3.547 Base-Backbone interact. energy: -0.036 local terms energy: -27.621281 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.983 tors. eta vs tors. theta energy: -2.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -41.476669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.476669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.476669 (E_RNA) where: Base-Base interactions energy: -14.610 where: short stacking energy: -14.610 Base-Backbone interact. energy: -0.003 local terms energy: -26.863930 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -5.392 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: 2, replica: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -36.551767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.551767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.551767 (E_RNA) where: Base-Base interactions energy: -9.826 where: short stacking energy: -9.826 Base-Backbone interact. energy: -0.021 local terms energy: -26.704916 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -4.708 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: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -39.722177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.722177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.722177 (E_RNA) where: Base-Base interactions energy: -9.879 where: short stacking energy: -9.879 Base-Backbone interact. energy: -0.051 local terms energy: -29.791365 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -2.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -39.288454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.288454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.288454 (E_RNA) where: Base-Base interactions energy: -10.941 where: short stacking energy: -10.941 Base-Backbone interact. energy: -0.004 local terms energy: -28.343675 where: bonds (distance) C4'-P energy: -6.099 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -35.887748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.887748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.887748 (E_RNA) where: Base-Base interactions energy: -14.482 where: short stacking energy: -14.482 Base-Backbone interact. energy: -0.098 local terms energy: -21.307318 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -3.639 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -1.650 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -40.468606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.468606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.468606 (E_RNA) where: Base-Base interactions energy: -13.914 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.007 local terms energy: -26.547725 where: bonds (distance) C4'-P energy: -5.747 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -41.622631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.622631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.622631 (E_RNA) where: Base-Base interactions energy: -10.779 where: short stacking energy: -10.802 Base-Backbone interact. energy: -0.001 local terms energy: -30.842769 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -6.212 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -5.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -34.075582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.075582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.075582 (E_RNA) where: Base-Base interactions energy: -12.268 where: short stacking energy: -12.268 Base-Backbone interact. energy: -0.134 local terms energy: -21.673648 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -3.356 flat angles P-C4'-P energy: -3.386 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: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -30.431084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.431084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.431084 (E_RNA) where: Base-Base interactions energy: -8.454 where: short stacking energy: -6.556 Base-Backbone interact. energy: 0.332 local terms energy: -22.308384 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -2.985 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: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -38.993853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.993853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.993853 (E_RNA) where: Base-Base interactions energy: -10.672 where: short stacking energy: -10.672 Base-Backbone interact. energy: -0.001 local terms energy: -28.320793 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -4.924 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: 1, replica: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -37.702731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.702731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.702731 (E_RNA) where: Base-Base interactions energy: -10.953 where: short stacking energy: -10.953 Base-Backbone interact. energy: -0.034 local terms energy: -26.716371 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -5.723 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: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -47.542149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.542149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.542149 (E_RNA) where: Base-Base interactions energy: -13.966 where: short stacking energy: -13.966 Base-Backbone interact. energy: -0.000 local terms energy: -33.575772 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -2.912 tors. eta vs tors. theta energy: -7.558 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: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -32.974350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.974350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.974350 (E_RNA) where: Base-Base interactions energy: -5.314 where: short stacking energy: -5.047 Base-Backbone interact. energy: -0.268 local terms energy: -27.392573 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -5.004 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: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -37.589046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.589046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.589046 (E_RNA) where: Base-Base interactions energy: -8.099 where: short stacking energy: -8.099 Base-Backbone interact. energy: -0.010 local terms energy: -29.480387 where: bonds (distance) C4'-P energy: -5.702 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -6.335 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: 5, replica: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -40.628332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.628332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.628332 (E_RNA) where: Base-Base interactions energy: -12.108 where: short stacking energy: -12.219 Base-Backbone interact. energy: -0.000 local terms energy: -28.519884 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -3.346 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: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -41.487029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.487029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.487029 (E_RNA) where: Base-Base interactions energy: -13.017 where: short stacking energy: -5.972 Base-Backbone interact. energy: -0.178 local terms energy: -28.291393 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -5.124 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: 7, replica: 2 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -34.738889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.738889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.738889 (E_RNA) where: Base-Base interactions energy: -11.403 where: short stacking energy: -11.403 Base-Backbone interact. energy: 0.358 local terms energy: -23.693801 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -5.583 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -29.670016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.670016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.670016 (E_RNA) where: Base-Base interactions energy: -8.953 where: short stacking energy: -8.953 Base-Backbone interact. energy: 1.382 local terms energy: -22.098980 where: bonds (distance) C4'-P energy: -3.785 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -3.783 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: 9, replica: 8 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -30.606940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.606940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.606940 (E_RNA) where: Base-Base interactions energy: -6.408 where: short stacking energy: -6.408 Base-Backbone interact. energy: -0.017 local terms energy: -24.181786 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -29.463595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.463595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.463595 (E_RNA) where: Base-Base interactions energy: -6.242 where: short stacking energy: -5.531 Base-Backbone interact. energy: -0.093 local terms energy: -23.128762 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -2.664 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: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -45.292646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.292646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.292646 (E_RNA) where: Base-Base interactions energy: -12.862 where: short stacking energy: -12.862 Base-Backbone interact. energy: -0.031 local terms energy: -32.399599 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -6.325 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: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -42.231034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.231034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.231034 (E_RNA) where: Base-Base interactions energy: -14.969 where: short stacking energy: -14.969 Base-Backbone interact. energy: -0.168 local terms energy: -27.094838 where: bonds (distance) C4'-P energy: -5.308 bonds (distance) P-C4' energy: -5.660 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -6.261 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: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -42.322802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.322802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.322802 (E_RNA) where: Base-Base interactions energy: -12.592 where: short stacking energy: -12.592 Base-Backbone interact. energy: -0.000 local terms energy: -29.731159 where: bonds (distance) C4'-P energy: -6.273 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -5.214 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: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -42.112931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.112931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.112931 (E_RNA) where: Base-Base interactions energy: -15.177 where: short stacking energy: -14.557 Base-Backbone interact. energy: -0.097 local terms energy: -26.839271 where: bonds (distance) C4'-P energy: -3.078 bonds (distance) P-C4' energy: -7.709 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -37.303512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.303512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.303512 (E_RNA) where: Base-Base interactions energy: -10.613 where: short stacking energy: -5.337 Base-Backbone interact. energy: -0.008 local terms energy: -26.682947 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: 0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -37.856085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.856085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.856085 (E_RNA) where: Base-Base interactions energy: -12.410 where: short stacking energy: -12.410 Base-Backbone interact. energy: -0.003 local terms energy: -25.443529 where: bonds (distance) C4'-P energy: -4.174 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -35.562873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.562873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.562873 (E_RNA) where: Base-Base interactions energy: -7.472 where: short stacking energy: -7.472 Base-Backbone interact. energy: -0.085 local terms energy: -28.004995 where: bonds (distance) C4'-P energy: -5.631 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -5.568 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: 8, replica: 2 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -32.062981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.062981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.062981 (E_RNA) where: Base-Base interactions energy: -11.114 where: short stacking energy: -11.114 Base-Backbone interact. energy: -0.176 local terms energy: -20.773527 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -3.210 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: 0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -35.810311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.810311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.810311 (E_RNA) where: Base-Base interactions energy: -7.226 where: short stacking energy: -7.226 Base-Backbone interact. energy: -0.053 local terms energy: -28.531545 where: bonds (distance) C4'-P energy: -6.393 bonds (distance) P-C4' energy: -7.160 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -5.693 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: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -32.102762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.102762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.102762 (E_RNA) where: Base-Base interactions energy: -9.245 where: short stacking energy: -9.245 Base-Backbone interact. energy: -0.023 local terms energy: -22.835181 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -4.000 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: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -43.779332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.779332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.779332 (E_RNA) where: Base-Base interactions energy: -14.604 where: short stacking energy: -14.604 Base-Backbone interact. energy: -0.146 local terms energy: -29.029431 where: bonds (distance) C4'-P energy: -5.842 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -48.155136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.155136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.155136 (E_RNA) where: Base-Base interactions energy: -16.146 where: short stacking energy: -16.146 Base-Backbone interact. energy: -0.084 local terms energy: -31.924712 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -44.413158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.413158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.413158 (E_RNA) where: Base-Base interactions energy: -13.960 where: short stacking energy: -13.960 Base-Backbone interact. energy: -0.684 local terms energy: -29.769292 where: bonds (distance) C4'-P energy: -2.780 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -5.994 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: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -36.616977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.616977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.616977 (E_RNA) where: Base-Base interactions energy: -9.344 where: short stacking energy: -9.344 Base-Backbone interact. energy: -0.002 local terms energy: -27.270369 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -35.728465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.728465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.728465 (E_RNA) where: Base-Base interactions energy: -9.713 where: short stacking energy: -8.109 Base-Backbone interact. energy: -0.187 local terms energy: -25.828498 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -6.853 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: 6, replica: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -36.147031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.147031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.147031 (E_RNA) where: Base-Base interactions energy: -10.658 where: short stacking energy: -10.658 Base-Backbone interact. energy: -0.001 local terms energy: -25.488231 where: bonds (distance) C4'-P energy: -5.541 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -38.009013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.009013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.009013 (E_RNA) where: Base-Base interactions energy: -7.664 where: short stacking energy: -6.395 Base-Backbone interact. energy: -0.016 local terms energy: -30.328640 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -5.871 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: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -37.645601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.645601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.645601 (E_RNA) where: Base-Base interactions energy: -12.240 where: short stacking energy: -11.850 Base-Backbone interact. energy: -0.337 local terms energy: -25.068545 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: 0.924 tors. eta vs tors. theta energy: -3.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -29.781736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.781736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.781736 (E_RNA) where: Base-Base interactions energy: -2.894 where: short stacking energy: -3.005 Base-Backbone interact. energy: -0.095 local terms energy: -26.792010 where: bonds (distance) C4'-P energy: -6.252 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -32.057852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.057852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.057852 (E_RNA) where: Base-Base interactions energy: -6.769 where: short stacking energy: -6.769 Base-Backbone interact. energy: -0.000 local terms energy: -25.289196 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -41.620167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.620167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.620167 (E_RNA) where: Base-Base interactions energy: -10.517 where: short stacking energy: -10.517 Base-Backbone interact. energy: -0.022 local terms energy: -31.080602 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -44.312697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.312697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.312697 (E_RNA) where: Base-Base interactions energy: -13.397 where: short stacking energy: -13.397 Base-Backbone interact. energy: -0.018 local terms energy: -30.897806 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -42.678299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.678299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.678299 (E_RNA) where: Base-Base interactions energy: -13.890 where: short stacking energy: -13.890 Base-Backbone interact. energy: -0.002 local terms energy: -28.787027 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -0.244 tors. eta vs tors. theta energy: -6.749 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: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -32.336466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.336466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.336466 (E_RNA) where: Base-Base interactions energy: -4.847 where: short stacking energy: -5.187 Base-Backbone interact. energy: -0.000 local terms energy: -27.488812 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -2.594 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: 5, replica: 3 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -34.865418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.865418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.865418 (E_RNA) where: Base-Base interactions energy: -7.084 where: short stacking energy: -7.084 Base-Backbone interact. energy: -0.000 local terms energy: -27.781094 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -3.491 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: 6, replica: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -37.411047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.411047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.411047 (E_RNA) where: Base-Base interactions energy: -7.965 where: short stacking energy: -7.965 Base-Backbone interact. energy: -0.001 local terms energy: -29.444679 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -4.620 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: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -31.243003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.243003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.243003 (E_RNA) where: Base-Base interactions energy: -6.800 where: short stacking energy: -6.838 Base-Backbone interact. energy: -0.008 local terms energy: -24.435075 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -3.161 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: 8, replica: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -35.120740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.120740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.120740 (E_RNA) where: Base-Base interactions energy: -11.119 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.282 local terms energy: -23.720335 where: bonds (distance) C4'-P energy: -3.552 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -0.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -34.304104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.304104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.304104 (E_RNA) where: Base-Base interactions energy: -10.129 where: short stacking energy: -10.051 Base-Backbone interact. energy: -0.013 local terms energy: -24.162841 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -0.066 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: 10, replica: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -27.330961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.330961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.330961 (E_RNA) where: Base-Base interactions energy: -3.677 where: short stacking energy: -3.677 Base-Backbone interact. energy: 0.012 local terms energy: -23.665770 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -3.993 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: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -44.135518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.135518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.135518 (E_RNA) where: Base-Base interactions energy: -13.837 where: short stacking energy: -13.837 Base-Backbone interact. energy: -0.046 local terms energy: -30.252191 where: bonds (distance) C4'-P energy: -6.535 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -5.969 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: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -45.520540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.520540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.520540 (E_RNA) where: Base-Base interactions energy: -14.868 where: short stacking energy: -14.868 Base-Backbone interact. energy: -0.000 local terms energy: -30.652764 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -6.026 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: 339 Temperature: 1.000000 Total energy: -40.226058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.226058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.226058 (E_RNA) where: Base-Base interactions energy: -9.447 where: short stacking energy: -9.563 Base-Backbone interact. energy: -0.077 local terms energy: -30.701828 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -38.345642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.345642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.345642 (E_RNA) where: Base-Base interactions energy: -9.672 where: short stacking energy: -9.672 Base-Backbone interact. energy: -0.075 local terms energy: -28.598523 where: bonds (distance) C4'-P energy: -6.029 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -4.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -37.029115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.029115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.029115 (E_RNA) where: Base-Base interactions energy: -9.522 where: short stacking energy: -9.312 Base-Backbone interact. energy: -0.067 local terms energy: -27.440883 where: bonds (distance) C4'-P energy: -4.824 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -4.227 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: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -36.840377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.840377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.840377 (E_RNA) where: Base-Base interactions energy: -9.712 where: short stacking energy: -9.712 Base-Backbone interact. energy: -0.000 local terms energy: -27.128567 where: bonds (distance) C4'-P energy: -4.562 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.005 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: 7, replica: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -37.019469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.019469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.019469 (E_RNA) where: Base-Base interactions energy: -12.315 where: short stacking energy: -12.315 Base-Backbone interact. energy: -0.040 local terms energy: -24.664194 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -6.894 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -1.663 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: 8, replica: 8 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -32.649556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.649556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.649556 (E_RNA) where: Base-Base interactions energy: -6.625 where: short stacking energy: -6.625 Base-Backbone interact. energy: -0.074 local terms energy: -25.950450 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -4.569 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: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -37.207163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.207163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.207163 (E_RNA) where: Base-Base interactions energy: -9.230 where: short stacking energy: -10.061 Base-Backbone interact. energy: -0.003 local terms energy: -27.974441 where: bonds (distance) C4'-P energy: -6.988 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -4.972 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: 10, replica: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -33.038994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.038994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.038994 (E_RNA) where: Base-Base interactions energy: -8.452 where: short stacking energy: -8.264 Base-Backbone interact. energy: -0.088 local terms energy: -24.499415 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.560 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: 1, replica: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -46.353365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.353365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.353365 (E_RNA) where: Base-Base interactions energy: -16.980 where: short stacking energy: -16.980 Base-Backbone interact. energy: -0.000 local terms energy: -29.372548 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -5.914 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -4.807 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: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -42.919051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.919051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.919051 (E_RNA) where: Base-Base interactions energy: -12.209 where: short stacking energy: -12.209 Base-Backbone interact. energy: 0.772 local terms energy: -31.482696 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -5.703 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: 3, replica: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -41.888951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.888951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.888951 (E_RNA) where: Base-Base interactions energy: -17.054 where: short stacking energy: -9.721 Base-Backbone interact. energy: -0.223 local terms energy: -24.611161 where: bonds (distance) C4'-P energy: -5.184 bonds (distance) P-C4' energy: -5.263 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -36.956495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.956495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.956495 (E_RNA) where: Base-Base interactions energy: -7.864 where: short stacking energy: -7.864 Base-Backbone interact. energy: -0.007 local terms energy: -29.085547 where: bonds (distance) C4'-P energy: -5.664 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -6.405 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: 5, replica: 1 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -36.659344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.659344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.659344 (E_RNA) where: Base-Base interactions energy: -7.821 where: short stacking energy: -7.950 Base-Backbone interact. energy: -0.065 local terms energy: -28.773389 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -3.882 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: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -39.197551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.197551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.197551 (E_RNA) where: Base-Base interactions energy: -7.022 where: short stacking energy: -7.022 Base-Backbone interact. energy: -0.001 local terms energy: -32.174936 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -6.411 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -5.692 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: 7, replica: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -40.103469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.103469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.103469 (E_RNA) where: Base-Base interactions energy: -13.869 where: short stacking energy: -13.869 Base-Backbone interact. energy: -0.153 local terms energy: -26.081209 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -2.691 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: 8, replica: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -33.224073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.224073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.224073 (E_RNA) where: Base-Base interactions energy: -8.086 where: short stacking energy: -8.086 Base-Backbone interact. energy: -0.011 local terms energy: -25.127154 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -3.844 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: 9, replica: 2 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -34.616678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.616678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.616678 (E_RNA) where: Base-Base interactions energy: -11.047 where: short stacking energy: -11.047 Base-Backbone interact. energy: -0.051 local terms energy: -23.518275 where: bonds (distance) C4'-P energy: -3.619 bonds (distance) P-C4' energy: -5.163 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -33.736140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.736140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.736140 (E_RNA) where: Base-Base interactions energy: -10.800 where: short stacking energy: -10.800 Base-Backbone interact. energy: -0.044 local terms energy: -22.891598 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -42.260151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.260151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.260151 (E_RNA) where: Base-Base interactions energy: -14.458 where: short stacking energy: -14.458 Base-Backbone interact. energy: -0.000 local terms energy: -27.802313 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.904 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -44.181412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.181412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.181412 (E_RNA) where: Base-Base interactions energy: -14.955 where: short stacking energy: -14.955 Base-Backbone interact. energy: -0.001 local terms energy: -29.225155 where: bonds (distance) C4'-P energy: -5.686 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -42.706700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.706700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.706700 (E_RNA) where: Base-Base interactions energy: -12.639 where: short stacking energy: -12.639 Base-Backbone interact. energy: -0.007 local terms energy: -30.061314 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -4.690 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: 341 Temperature: 1.050000 Total energy: -35.488196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.488196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.488196 (E_RNA) where: Base-Base interactions energy: -8.433 where: short stacking energy: -7.010 Base-Backbone interact. energy: -0.135 local terms energy: -26.920227 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -39.565751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.565751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.565751 (E_RNA) where: Base-Base interactions energy: -13.005 where: short stacking energy: -13.005 Base-Backbone interact. energy: -0.000 local terms energy: -26.560383 where: bonds (distance) C4'-P energy: -6.637 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -6.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -35.693205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.693205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.693205 (E_RNA) where: Base-Base interactions energy: -11.436 where: short stacking energy: -11.436 Base-Backbone interact. energy: -0.004 local terms energy: -24.252963 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -35.679400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.679400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.679400 (E_RNA) where: Base-Base interactions energy: -7.026 where: short stacking energy: -7.026 Base-Backbone interact. energy: -0.000 local terms energy: -28.653008 where: bonds (distance) C4'-P energy: -6.686 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -31.008858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.008858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.008858 (E_RNA) where: Base-Base interactions energy: -8.888 where: short stacking energy: -8.888 Base-Backbone interact. energy: -0.002 local terms energy: -22.119459 where: bonds (distance) C4'-P energy: -6.679 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -2.680 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: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -32.792605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.792605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.792605 (E_RNA) where: Base-Base interactions energy: -11.844 where: short stacking energy: -11.844 Base-Backbone interact. energy: -0.084 local terms energy: -20.864966 where: bonds (distance) C4'-P energy: -4.605 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -4.057 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: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -32.874044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.874044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.874044 (E_RNA) where: Base-Base interactions energy: -7.366 where: short stacking energy: -7.366 Base-Backbone interact. energy: -0.100 local terms energy: -25.408075 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -39.957407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.957407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.957407 (E_RNA) where: Base-Base interactions energy: -10.381 where: short stacking energy: -10.381 Base-Backbone interact. energy: -0.172 local terms energy: -29.403719 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -2.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -41.245323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.245323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.245323 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.024 local terms energy: -30.203852 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -41.131455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.131455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.131455 (E_RNA) where: Base-Base interactions energy: -12.286 where: short stacking energy: -12.286 Base-Backbone interact. energy: -0.000 local terms energy: -28.845350 where: bonds (distance) C4'-P energy: -6.252 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -3.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -44.289919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.289919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.289919 (E_RNA) where: Base-Base interactions energy: -13.758 where: short stacking energy: -13.758 Base-Backbone interact. energy: -0.000 local terms energy: -30.531660 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -37.046330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.046330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.046330 (E_RNA) where: Base-Base interactions energy: -10.213 where: short stacking energy: -10.213 Base-Backbone interact. energy: 0.536 local terms energy: -27.369230 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -35.806565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.806565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.806565 (E_RNA) where: Base-Base interactions energy: -5.178 where: short stacking energy: -5.178 Base-Backbone interact. energy: -0.033 local terms energy: -30.595362 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -31.525142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.525142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.525142 (E_RNA) where: Base-Base interactions energy: -6.884 where: short stacking energy: -6.884 Base-Backbone interact. energy: -0.136 local terms energy: -24.504219 where: bonds (distance) C4'-P energy: -6.641 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -1.676 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -32.311455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.311455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.311455 (E_RNA) where: Base-Base interactions energy: -4.823 where: short stacking energy: -4.823 Base-Backbone interact. energy: -0.041 local terms energy: -27.447730 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -5.632 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: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -32.903894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.903894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.903894 (E_RNA) where: Base-Base interactions energy: -8.241 where: short stacking energy: -8.241 Base-Backbone interact. energy: -0.077 local terms energy: -24.585992 where: bonds (distance) C4'-P energy: -3.722 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -30.299956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.299956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.299956 (E_RNA) where: Base-Base interactions energy: -5.963 where: short stacking energy: -5.963 Base-Backbone interact. energy: -0.134 local terms energy: -24.203353 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: 1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -53.221555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.221555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.221555 (E_RNA) where: Base-Base interactions energy: -19.368 where: short stacking energy: -16.589 Base-Backbone interact. energy: -0.142 local terms energy: -33.711411 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.111 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -41.086608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.086608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.086608 (E_RNA) where: Base-Base interactions energy: -11.065 where: short stacking energy: -11.065 Base-Backbone interact. energy: -0.018 local terms energy: -30.003606 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -5.235 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: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -38.185079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.185079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.185079 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -11.372 Base-Backbone interact. energy: -0.105 local terms energy: -26.722809 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -4.895 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: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -39.482590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.482590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.482590 (E_RNA) where: Base-Base interactions energy: -9.111 where: short stacking energy: -9.111 Base-Backbone interact. energy: -0.035 local terms energy: -30.336663 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -4.979 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: 5, replica: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -40.611841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.611841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.611841 (E_RNA) where: Base-Base interactions energy: -12.746 where: short stacking energy: -12.622 Base-Backbone interact. energy: -0.000 local terms energy: -27.865719 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -5.718 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -5.586 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: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -36.465843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.465843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.465843 (E_RNA) where: Base-Base interactions energy: -7.420 where: short stacking energy: -7.420 Base-Backbone interact. energy: -0.002 local terms energy: -29.043814 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -6.506 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: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -35.803849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.803849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.803849 (E_RNA) where: Base-Base interactions energy: -7.245 where: short stacking energy: -7.245 Base-Backbone interact. energy: -0.054 local terms energy: -28.504940 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -4.286 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: 8, replica: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -36.179074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.179074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.179074 (E_RNA) where: Base-Base interactions energy: -9.734 where: short stacking energy: -9.734 Base-Backbone interact. energy: -0.000 local terms energy: -26.445012 where: bonds (distance) C4'-P energy: -4.691 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -4.823 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: 9, replica: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -32.143938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.143938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.143938 (E_RNA) where: Base-Base interactions energy: -10.956 where: short stacking energy: -10.956 Base-Backbone interact. energy: -0.003 local terms energy: -21.184777 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -29.371051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.371051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.371051 (E_RNA) where: Base-Base interactions energy: -4.124 where: short stacking energy: -4.445 Base-Backbone interact. energy: -0.001 local terms energy: -25.246401 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -6.245 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.962 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: 1, replica: 4 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -45.846929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.846929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.846929 (E_RNA) where: Base-Base interactions energy: -13.594 where: short stacking energy: -13.580 Base-Backbone interact. energy: -0.695 local terms energy: -31.557414 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -3.312 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: 344 Temperature: 0.950000 Total energy: -44.907096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.907096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.907096 (E_RNA) where: Base-Base interactions energy: -14.242 where: short stacking energy: -14.242 Base-Backbone interact. energy: -0.005 local terms energy: -30.660380 where: bonds (distance) C4'-P energy: -6.716 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -3.123 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: 3, replica: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -45.056057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.056057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.056057 (E_RNA) where: Base-Base interactions energy: -14.191 where: short stacking energy: -14.191 Base-Backbone interact. energy: -0.135 local terms energy: -30.729292 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -6.601 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -39.547791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.547791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.547791 (E_RNA) where: Base-Base interactions energy: -10.444 where: short stacking energy: -10.444 Base-Backbone interact. energy: -0.011 local terms energy: -29.092427 where: bonds (distance) C4'-P energy: -6.629 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -3.797 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: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -37.724562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.724562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.724562 (E_RNA) where: Base-Base interactions energy: -9.264 where: short stacking energy: -9.264 Base-Backbone interact. energy: -0.212 local terms energy: -28.248857 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.810 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: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -38.943482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.943482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.943482 (E_RNA) where: Base-Base interactions energy: -13.370 where: short stacking energy: -13.370 Base-Backbone interact. energy: -0.060 local terms energy: -25.513883 where: bonds (distance) C4'-P energy: -6.186 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -37.769654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.769654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.769654 (E_RNA) where: Base-Base interactions energy: -8.614 where: short stacking energy: -8.614 Base-Backbone interact. energy: -0.000 local terms energy: -29.155015 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -1.872 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: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -32.709395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.709395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.709395 (E_RNA) where: Base-Base interactions energy: -8.699 where: short stacking energy: -8.699 Base-Backbone interact. energy: -0.014 local terms energy: -23.996610 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -3.403 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: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -33.637052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.637052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.637052 (E_RNA) where: Base-Base interactions energy: -11.774 where: short stacking energy: -11.774 Base-Backbone interact. energy: -0.002 local terms energy: -21.860996 where: bonds (distance) C4'-P energy: -6.712 bonds (distance) P-C4' energy: -6.295 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -0.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -31.197180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.197180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.197180 (E_RNA) where: Base-Base interactions energy: -5.851 where: short stacking energy: -5.851 Base-Backbone interact. energy: -0.025 local terms energy: -25.321293 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -5.727 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: 4 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -48.309952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.309952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.309952 (E_RNA) where: Base-Base interactions energy: -15.396 where: short stacking energy: -15.803 Base-Backbone interact. energy: -0.069 local terms energy: -32.845423 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -6.068 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: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -42.533861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.533861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.533861 (E_RNA) where: Base-Base interactions energy: -13.844 where: short stacking energy: -12.978 Base-Backbone interact. energy: -1.172 local terms energy: -27.517699 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -6.822 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.582 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: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -49.133071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.133071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.133071 (E_RNA) where: Base-Base interactions energy: -19.018 where: short stacking energy: -14.167 Base-Backbone interact. energy: -0.011 local terms energy: -30.103585 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -40.015714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.015714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.015714 (E_RNA) where: Base-Base interactions energy: -8.325 where: short stacking energy: -7.981 Base-Backbone interact. energy: -1.295 local terms energy: -30.396255 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -5.052 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: 5, replica: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -37.400783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.400783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.400783 (E_RNA) where: Base-Base interactions energy: -11.087 where: short stacking energy: -11.087 Base-Backbone interact. energy: -0.096 local terms energy: -26.217258 where: bonds (distance) C4'-P energy: -6.820 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -3.986 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: 6, replica: 10 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -39.387712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.387712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.387712 (E_RNA) where: Base-Base interactions energy: -6.658 where: short stacking energy: -6.658 Base-Backbone interact. energy: -0.045 local terms energy: -32.685150 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -37.007951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.007951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.007951 (E_RNA) where: Base-Base interactions energy: -6.376 where: short stacking energy: -6.376 Base-Backbone interact. energy: -0.021 local terms energy: -30.611168 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -6.633 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -3.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -31.117331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.117331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.117331 (E_RNA) where: Base-Base interactions energy: -7.576 where: short stacking energy: -7.576 Base-Backbone interact. energy: -0.081 local terms energy: -23.460207 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -33.761800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.761800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.761800 (E_RNA) where: Base-Base interactions energy: -11.047 where: short stacking energy: -11.047 Base-Backbone interact. energy: -0.137 local terms energy: -22.577673 where: bonds (distance) C4'-P energy: -5.180 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -5.603 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: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -30.106294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.106294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.106294 (E_RNA) where: Base-Base interactions energy: -6.364 where: short stacking energy: -3.484 Base-Backbone interact. energy: -0.019 local terms energy: -23.723211 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -4.638 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -45.552083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.552083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.552083 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.137 local terms energy: -32.365999 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.896 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -50.921822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.921822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.921822 (E_RNA) where: Base-Base interactions energy: -19.154 where: short stacking energy: -19.154 Base-Backbone interact. energy: -0.075 local terms energy: -31.692594 where: bonds (distance) C4'-P energy: -4.961 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -6.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -39.693255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.693255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.693255 (E_RNA) where: Base-Base interactions energy: -11.301 where: short stacking energy: -10.906 Base-Backbone interact. energy: 0.860 local terms energy: -29.252408 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -5.997 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: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -40.431293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.431293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.431293 (E_RNA) where: Base-Base interactions energy: -12.011 where: short stacking energy: -12.011 Base-Backbone interact. energy: -0.000 local terms energy: -28.420097 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -4.382 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: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -33.660761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.660761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.660761 (E_RNA) where: Base-Base interactions energy: -6.139 where: short stacking energy: -5.048 Base-Backbone interact. energy: -0.370 local terms energy: -27.152276 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -3.092 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: 6, replica: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -35.115017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.115017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.115017 (E_RNA) where: Base-Base interactions energy: -7.350 where: short stacking energy: -7.350 Base-Backbone interact. energy: -0.000 local terms energy: -27.764759 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -36.555556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.555556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.555556 (E_RNA) where: Base-Base interactions energy: -6.956 where: short stacking energy: -6.956 Base-Backbone interact. energy: -0.009 local terms energy: -29.590940 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -30.459594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.459594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.459594 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.894 Base-Backbone interact. energy: -0.011 local terms energy: -23.554531 where: bonds (distance) C4'-P energy: -3.544 bonds (distance) P-C4' energy: -7.678 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -0.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -28.938839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.938839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.938839 (E_RNA) where: Base-Base interactions energy: -3.346 where: short stacking energy: -3.346 Base-Backbone interact. energy: -0.084 local terms energy: -25.509003 where: bonds (distance) C4'-P energy: -6.265 bonds (distance) P-C4' energy: -6.966 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -4.247 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: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -30.276298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.276298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.276298 (E_RNA) where: Base-Base interactions energy: -6.939 where: short stacking energy: -6.939 Base-Backbone interact. energy: -0.047 local terms energy: -23.290655 where: bonds (distance) C4'-P energy: -6.989 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -5.082 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: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -53.526800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.526800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.526800 (E_RNA) where: Base-Base interactions energy: -18.975 where: short stacking energy: -18.975 Base-Backbone interact. energy: -0.000 local terms energy: -34.551599 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -7.625 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: 4 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -39.288804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.288804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.288804 (E_RNA) where: Base-Base interactions energy: -11.416 where: short stacking energy: -11.416 Base-Backbone interact. energy: -0.012 local terms energy: -27.860628 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -0.811 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: 3, replica: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -44.276088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.276088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.276088 (E_RNA) where: Base-Base interactions energy: -14.649 where: short stacking energy: -14.678 Base-Backbone interact. energy: -0.000 local terms energy: -29.626932 where: bonds (distance) C4'-P energy: -5.420 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -7.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -38.747909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.747909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.747909 (E_RNA) where: Base-Base interactions energy: -4.590 where: short stacking energy: -4.590 Base-Backbone interact. energy: -0.010 local terms energy: -34.147854 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -41.305803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.305803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.305803 (E_RNA) where: Base-Base interactions energy: -11.871 where: short stacking energy: -12.607 Base-Backbone interact. energy: -0.001 local terms energy: -29.433515 where: bonds (distance) C4'-P energy: -5.686 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -2.067 tors. eta vs tors. theta energy: -6.588 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: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -35.281109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.281109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.281109 (E_RNA) where: Base-Base interactions energy: -4.788 where: short stacking energy: -4.788 Base-Backbone interact. energy: -0.047 local terms energy: -30.446692 where: bonds (distance) C4'-P energy: -5.533 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -34.520556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.520556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.520556 (E_RNA) where: Base-Base interactions energy: -12.445 where: short stacking energy: -12.445 Base-Backbone interact. energy: -0.018 local terms energy: -22.057730 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -2.667 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -36.691328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.691328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.691328 (E_RNA) where: Base-Base interactions energy: -11.590 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.017 local terms energy: -25.083715 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -7.165 flat angles P-C4'-P energy: -5.001 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: 9, replica: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -33.945848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.945848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.945848 (E_RNA) where: Base-Base interactions energy: -10.534 where: short stacking energy: -11.534 Base-Backbone interact. energy: -0.136 local terms energy: -23.275345 where: bonds (distance) C4'-P energy: -5.917 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -4.995 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: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -33.940031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.940031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.940031 (E_RNA) where: Base-Base interactions energy: -7.684 where: short stacking energy: -7.684 Base-Backbone interact. energy: -0.016 local terms energy: -26.239710 where: bonds (distance) C4'-P energy: -5.686 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -4.251 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: 1, replica: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -52.066626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.066626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.066626 (E_RNA) where: Base-Base interactions energy: -19.074 where: short stacking energy: -19.074 Base-Backbone interact. energy: -0.016 local terms energy: -32.976576 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -8.467 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -45.383445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.383445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.383445 (E_RNA) where: Base-Base interactions energy: -14.849 where: short stacking energy: -10.642 Base-Backbone interact. energy: -0.000 local terms energy: -30.534712 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -37.683354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.683354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.683354 (E_RNA) where: Base-Base interactions energy: -8.701 where: short stacking energy: -8.701 Base-Backbone interact. energy: -0.010 local terms energy: -28.972170 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -3.595 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: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -42.296462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.296462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.296462 (E_RNA) where: Base-Base interactions energy: -13.677 where: short stacking energy: -13.029 Base-Backbone interact. energy: 0.033 local terms energy: -28.652003 where: bonds (distance) C4'-P energy: -5.180 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -39.110552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.110552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.110552 (E_RNA) where: Base-Base interactions energy: -10.147 where: short stacking energy: -10.147 Base-Backbone interact. energy: -0.002 local terms energy: -28.962112 where: bonds (distance) C4'-P energy: -6.410 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -32.846500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.846500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.846500 (E_RNA) where: Base-Base interactions energy: -9.320 where: short stacking energy: -9.320 Base-Backbone interact. energy: -0.001 local terms energy: -23.524722 where: bonds (distance) C4'-P energy: -6.251 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -0.856 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -35.097100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.097100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.097100 (E_RNA) where: Base-Base interactions energy: -7.192 where: short stacking energy: -7.192 Base-Backbone interact. energy: -0.056 local terms energy: -27.848949 where: bonds (distance) C4'-P energy: -6.269 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: -4.074 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: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -33.387523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.387523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.387523 (E_RNA) where: Base-Base interactions energy: -5.967 where: short stacking energy: -5.967 Base-Backbone interact. energy: -0.123 local terms energy: -27.297992 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -38.900152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.900152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.900152 (E_RNA) where: Base-Base interactions energy: -9.995 where: short stacking energy: -9.995 Base-Backbone interact. energy: -0.000 local terms energy: -28.905199 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -5.553 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: 6 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -30.710617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.710617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.710617 (E_RNA) where: Base-Base interactions energy: -3.585 where: short stacking energy: -3.585 Base-Backbone interact. energy: -0.008 local terms energy: -27.117283 where: bonds (distance) C4'-P energy: -6.642 bonds (distance) P-C4' energy: -6.245 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -5.344 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: 1, replica: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -45.731753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.731753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.731753 (E_RNA) where: Base-Base interactions energy: -17.558 where: short stacking energy: -15.432 Base-Backbone interact. energy: -0.043 local terms energy: -28.130895 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -42.837931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.837931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.837931 (E_RNA) where: Base-Base interactions energy: -11.404 where: short stacking energy: -11.404 Base-Backbone interact. energy: 0.510 local terms energy: -31.944480 where: bonds (distance) C4'-P energy: -7.966 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -5.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -45.958632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.958632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.958632 (E_RNA) where: Base-Base interactions energy: -11.287 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.000 local terms energy: -34.671166 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -7.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -42.438075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.438075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.438075 (E_RNA) where: Base-Base interactions energy: -13.052 where: short stacking energy: -13.205 Base-Backbone interact. energy: -0.001 local terms energy: -29.385841 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -35.282877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.282877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.282877 (E_RNA) where: Base-Base interactions energy: -8.875 where: short stacking energy: -8.875 Base-Backbone interact. energy: -0.113 local terms energy: -26.294640 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -6.180 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -4.589 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: 6, replica: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -45.325096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.325096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.325096 (E_RNA) where: Base-Base interactions energy: -15.483 where: short stacking energy: -11.963 Base-Backbone interact. energy: -1.062 local terms energy: -28.780107 where: bonds (distance) C4'-P energy: -6.716 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -6.004 tors. eta vs tors. theta energy: -2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -34.275399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.275399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.275399 (E_RNA) where: Base-Base interactions energy: -9.014 where: short stacking energy: -6.759 Base-Backbone interact. energy: -0.257 local terms energy: -25.003786 where: bonds (distance) C4'-P energy: -4.088 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -4.088 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: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -33.089051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.089051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.089051 (E_RNA) where: Base-Base interactions energy: -9.125 where: short stacking energy: -9.125 Base-Backbone interact. energy: -0.039 local terms energy: -23.924917 where: bonds (distance) C4'-P energy: -5.030 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -3.834 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: 9, replica: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -36.626093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.626093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.626093 (E_RNA) where: Base-Base interactions energy: -6.831 where: short stacking energy: -6.831 Base-Backbone interact. energy: -0.000 local terms energy: -29.794990 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -6.097 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: 10, replica: 6 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -37.537240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.537240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.537240 (E_RNA) where: Base-Base interactions energy: -12.644 where: short stacking energy: -12.644 Base-Backbone interact. energy: -0.115 local terms energy: -24.778183 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -0.893 flat angles P-C4'-P energy: -6.206 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: 1, replica: 5 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -43.893455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.893455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.893455 (E_RNA) where: Base-Base interactions energy: -13.421 where: short stacking energy: -13.421 Base-Backbone interact. energy: -0.715 local terms energy: -29.757596 where: bonds (distance) C4'-P energy: -7.672 bonds (distance) P-C4' energy: -7.945 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -5.560 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: 2, replica: 4 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -42.226520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.226520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.226520 (E_RNA) where: Base-Base interactions energy: -12.162 where: short stacking energy: -10.846 Base-Backbone interact. energy: -0.141 local terms energy: -29.923015 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -42.662758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.662758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.662758 (E_RNA) where: Base-Base interactions energy: -15.122 where: short stacking energy: -15.122 Base-Backbone interact. energy: 0.512 local terms energy: -28.052671 where: bonds (distance) C4'-P energy: -6.675 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -37.255177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.255177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.255177 (E_RNA) where: Base-Base interactions energy: -10.985 where: short stacking energy: -10.985 Base-Backbone interact. energy: -0.045 local terms energy: -26.225486 where: bonds (distance) C4'-P energy: -5.800 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -38.408473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.408473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.408473 (E_RNA) where: Base-Base interactions energy: -8.071 where: short stacking energy: -8.071 Base-Backbone interact. energy: -0.007 local terms energy: -30.330565 where: bonds (distance) C4'-P energy: -6.145 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -32.805213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.805213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.805213 (E_RNA) where: Base-Base interactions energy: -9.191 where: short stacking energy: -9.191 Base-Backbone interact. energy: 0.445 local terms energy: -24.058985 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -2.160 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: 7, replica: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -36.907825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.907825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.907825 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.077 local terms energy: -24.721957 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -2.639 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -32.759486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.759486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.759486 (E_RNA) where: Base-Base interactions energy: -7.243 where: short stacking energy: -7.243 Base-Backbone interact. energy: -0.109 local terms energy: -25.407149 where: bonds (distance) C4'-P energy: -6.107 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: 2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -39.923392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.923392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.923392 (E_RNA) where: Base-Base interactions energy: -10.998 where: short stacking energy: -10.998 Base-Backbone interact. energy: -0.002 local terms energy: -28.923938 where: bonds (distance) C4'-P energy: -6.988 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -4.317 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: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -31.054250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.054250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.054250 (E_RNA) where: Base-Base interactions energy: -6.063 where: short stacking energy: -6.063 Base-Backbone interact. energy: -0.026 local terms energy: -24.965318 where: bonds (distance) C4'-P energy: -5.843 bonds (distance) P-C4' energy: -4.797 flat angles C4'-P-C4' energy: -8.293 flat angles P-C4'-P energy: -1.912 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: 1, replica: 5 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -49.260998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.260998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.260998 (E_RNA) where: Base-Base interactions energy: -16.810 where: short stacking energy: -16.810 Base-Backbone interact. energy: -0.027 local terms energy: -32.424346 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -43.377509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.377509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.377509 (E_RNA) where: Base-Base interactions energy: -14.739 where: short stacking energy: -13.407 Base-Backbone interact. energy: -0.004 local terms energy: -28.634349 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -41.817835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.817835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.817835 (E_RNA) where: Base-Base interactions energy: -12.667 where: short stacking energy: -12.667 Base-Backbone interact. energy: -0.000 local terms energy: -29.150483 where: bonds (distance) C4'-P energy: -4.841 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -6.123 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: 9 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -40.482535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.482535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.482535 (E_RNA) where: Base-Base interactions energy: -15.199 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.120 local terms energy: -25.163398 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -6.316 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -3.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -41.241448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.241448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.241448 (E_RNA) where: Base-Base interactions energy: -10.529 where: short stacking energy: -10.529 Base-Backbone interact. energy: -0.014 local terms energy: -30.698192 where: bonds (distance) C4'-P energy: -7.023 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -4.292 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: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -34.733765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.733765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.733765 (E_RNA) where: Base-Base interactions energy: -7.532 where: short stacking energy: -7.532 Base-Backbone interact. energy: -0.002 local terms energy: -27.200408 where: bonds (distance) C4'-P energy: -6.836 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.508 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -37.378299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.378299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.378299 (E_RNA) where: Base-Base interactions energy: -8.748 where: short stacking energy: -8.748 Base-Backbone interact. energy: -0.027 local terms energy: -28.603000 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -32.812468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.812468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.812468 (E_RNA) where: Base-Base interactions energy: -9.233 where: short stacking energy: -9.233 Base-Backbone interact. energy: -0.004 local terms energy: -23.575521 where: bonds (distance) C4'-P energy: -4.431 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -32.168466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.168466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.168466 (E_RNA) where: Base-Base interactions energy: -7.423 where: short stacking energy: -7.423 Base-Backbone interact. energy: -0.009 local terms energy: -24.737091 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -4.490 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: 10, replica: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -30.269560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.269560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.269560 (E_RNA) where: Base-Base interactions energy: -6.184 where: short stacking energy: -4.760 Base-Backbone interact. energy: -0.854 local terms energy: -23.232031 where: bonds (distance) C4'-P energy: -2.318 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -5.427 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: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -44.271152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.271152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.271152 (E_RNA) where: Base-Base interactions energy: -13.902 where: short stacking energy: -13.902 Base-Backbone interact. energy: -0.000 local terms energy: -30.369522 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -5.037 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: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -45.197772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.197772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.197772 (E_RNA) where: Base-Base interactions energy: -13.433 where: short stacking energy: -13.433 Base-Backbone interact. energy: -0.089 local terms energy: -31.676276 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -5.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -43.003448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.003448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.003448 (E_RNA) where: Base-Base interactions energy: -14.767 where: short stacking energy: -14.038 Base-Backbone interact. energy: -0.096 local terms energy: -28.140656 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -39.230487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.230487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.230487 (E_RNA) where: Base-Base interactions energy: -8.042 where: short stacking energy: -8.042 Base-Backbone interact. energy: -0.001 local terms energy: -31.187976 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -38.680701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.680701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.680701 (E_RNA) where: Base-Base interactions energy: -10.255 where: short stacking energy: -10.255 Base-Backbone interact. energy: -0.004 local terms energy: -28.421149 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -4.276 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: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -34.315798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.315798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.315798 (E_RNA) where: Base-Base interactions energy: -11.730 where: short stacking energy: -11.730 Base-Backbone interact. energy: -0.086 local terms energy: -22.499570 where: bonds (distance) C4'-P energy: -6.758 bonds (distance) P-C4' energy: -4.774 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -1.795 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -34.810901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.810901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.810901 (E_RNA) where: Base-Base interactions energy: -7.835 where: short stacking energy: -6.665 Base-Backbone interact. energy: -0.065 local terms energy: -26.910991 where: bonds (distance) C4'-P energy: -6.513 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -34.725273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.725273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.725273 (E_RNA) where: Base-Base interactions energy: -7.923 where: short stacking energy: -7.923 Base-Backbone interact. energy: -0.006 local terms energy: -26.796709 where: bonds (distance) C4'-P energy: -4.886 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -33.368501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.368501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.368501 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: -7.801 Base-Backbone interact. energy: -0.001 local terms energy: -25.567103 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.206 flat angles C4'-P-C4' energy: -2.766 flat angles P-C4'-P energy: -3.723 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: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -33.828473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.828473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.828473 (E_RNA) where: Base-Base interactions energy: -6.603 where: short stacking energy: -6.603 Base-Backbone interact. energy: -0.041 local terms energy: -27.184106 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -5.325 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: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -45.147597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.147597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.147597 (E_RNA) where: Base-Base interactions energy: -13.334 where: short stacking energy: -10.063 Base-Backbone interact. energy: -0.044 local terms energy: -31.769607 where: bonds (distance) C4'-P energy: -5.983 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -5.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -45.328012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.328012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.328012 (E_RNA) where: Base-Base interactions energy: -13.315 where: short stacking energy: -10.145 Base-Backbone interact. energy: -0.029 local terms energy: -31.983741 where: bonds (distance) C4'-P energy: -6.427 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -44.454739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.454739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.454739 (E_RNA) where: Base-Base interactions energy: -15.224 where: short stacking energy: -15.224 Base-Backbone interact. energy: 0.174 local terms energy: -29.405297 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -4.596 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: 7 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -43.074263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.074263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.074263 (E_RNA) where: Base-Base interactions energy: -15.022 where: short stacking energy: -15.022 Base-Backbone interact. energy: -0.046 local terms energy: -28.005647 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -39.007368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.007368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.007368 (E_RNA) where: Base-Base interactions energy: -9.173 where: short stacking energy: -9.173 Base-Backbone interact. energy: -0.004 local terms energy: -29.829681 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.011 flat angles P-C4'-P energy: -3.774 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: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -35.983337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.983337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.983337 (E_RNA) where: Base-Base interactions energy: -6.917 where: short stacking energy: -6.917 Base-Backbone interact. energy: -0.045 local terms energy: -29.021342 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -4.081 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: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -31.880614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.880614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.880614 (E_RNA) where: Base-Base interactions energy: -7.511 where: short stacking energy: -7.511 Base-Backbone interact. energy: -0.102 local terms energy: -24.267397 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -3.107 flat angles P-C4'-P energy: -5.044 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: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -32.429160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.429160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.429160 (E_RNA) where: Base-Base interactions energy: -8.143 where: short stacking energy: -6.906 Base-Backbone interact. energy: -0.018 local terms energy: -24.268270 where: bonds (distance) C4'-P energy: -6.339 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -4.401 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: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -38.744908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.744908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.744908 (E_RNA) where: Base-Base interactions energy: -12.506 where: short stacking energy: -12.506 Base-Backbone interact. energy: -0.000 local terms energy: -26.238901 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -6.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -31.803526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.803526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.803526 (E_RNA) where: Base-Base interactions energy: -3.773 where: short stacking energy: -3.773 Base-Backbone interact. energy: -0.005 local terms energy: -28.025522 where: bonds (distance) C4'-P energy: -7.072 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -6.864 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: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -49.212962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.212962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.212962 (E_RNA) where: Base-Base interactions energy: -15.112 where: short stacking energy: -15.112 Base-Backbone interact. energy: -0.036 local terms energy: -34.064192 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -43.534861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.534861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.534861 (E_RNA) where: Base-Base interactions energy: -12.711 where: short stacking energy: -11.591 Base-Backbone interact. energy: -0.055 local terms energy: -30.768989 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -4.983 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: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -46.110119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.110119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.110119 (E_RNA) where: Base-Base interactions energy: -15.227 where: short stacking energy: -15.227 Base-Backbone interact. energy: -0.031 local terms energy: -30.851929 where: bonds (distance) C4'-P energy: -6.939 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -41.631987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.631987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.631987 (E_RNA) where: Base-Base interactions energy: -12.041 where: short stacking energy: -12.811 Base-Backbone interact. energy: -0.002 local terms energy: -29.589346 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -7.678 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -38.029438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.029438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.029438 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.002 local terms energy: -29.457855 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -37.412957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.412957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.412957 (E_RNA) where: Base-Base interactions energy: -9.743 where: short stacking energy: -9.743 Base-Backbone interact. energy: -0.110 local terms energy: -27.560388 where: bonds (distance) C4'-P energy: -6.244 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -1.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -33.470063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.470063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.470063 (E_RNA) where: Base-Base interactions energy: -12.261 where: short stacking energy: -12.261 Base-Backbone interact. energy: -0.002 local terms energy: -21.206920 where: bonds (distance) C4'-P energy: -5.466 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -1.004 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -33.963406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.963406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.963406 (E_RNA) where: Base-Base interactions energy: -6.912 where: short stacking energy: -6.912 Base-Backbone interact. energy: 0.081 local terms energy: -27.132546 where: bonds (distance) C4'-P energy: -6.190 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -2.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -39.420439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.420439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.420439 (E_RNA) where: Base-Base interactions energy: -8.020 where: short stacking energy: -8.020 Base-Backbone interact. energy: -0.045 local terms energy: -31.355313 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -4.619 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: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -34.695121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.695121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.695121 (E_RNA) where: Base-Base interactions energy: -10.820 where: short stacking energy: -10.820 Base-Backbone interact. energy: -0.007 local terms energy: -23.868090 where: bonds (distance) C4'-P energy: -6.145 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: 0.617 tors. eta vs tors. theta energy: -5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -41.749423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.749423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.749423 (E_RNA) where: Base-Base interactions energy: -10.736 where: short stacking energy: -10.736 Base-Backbone interact. energy: -0.001 local terms energy: -31.012926 where: bonds (distance) C4'-P energy: -5.905 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -39.018240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.018240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.018240 (E_RNA) where: Base-Base interactions energy: -9.180 where: short stacking energy: -9.180 Base-Backbone interact. energy: -0.076 local terms energy: -29.762841 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -5.430 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -37.956030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.956030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.956030 (E_RNA) where: Base-Base interactions energy: -12.955 where: short stacking energy: -10.831 Base-Backbone interact. energy: -0.077 local terms energy: -24.923452 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.530 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: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -37.990444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.990444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.990444 (E_RNA) where: Base-Base interactions energy: -10.041 where: short stacking energy: -10.041 Base-Backbone interact. energy: -0.006 local terms energy: -27.943472 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -3.496 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: 5, replica: 7 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -33.538129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.538129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.538129 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.089 local terms energy: -26.244818 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: 0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -35.175747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.175747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.175747 (E_RNA) where: Base-Base interactions energy: -10.783 where: short stacking energy: -10.783 Base-Backbone interact. energy: -0.003 local terms energy: -24.389495 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -2.718 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: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -31.125689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.125689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.125689 (E_RNA) where: Base-Base interactions energy: -10.913 where: short stacking energy: -6.046 Base-Backbone interact. energy: -0.000 local terms energy: -20.212328 where: bonds (distance) C4'-P energy: -4.867 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -2.740 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -36.872600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.872600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.872600 (E_RNA) where: Base-Base interactions energy: -13.108 where: short stacking energy: -13.108 Base-Backbone interact. energy: -0.094 local terms energy: -23.670324 where: bonds (distance) C4'-P energy: -5.926 bonds (distance) P-C4' energy: -6.880 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -2.924 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: 9, replica: 6 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -32.627060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.627060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.627060 (E_RNA) where: Base-Base interactions energy: -6.552 where: short stacking energy: -6.552 Base-Backbone interact. energy: -0.048 local terms energy: -26.026959 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: 1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -30.711386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.711386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.711386 (E_RNA) where: Base-Base interactions energy: -8.015 where: short stacking energy: -8.015 Base-Backbone interact. energy: -0.004 local terms energy: -22.692532 where: bonds (distance) C4'-P energy: -6.584 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -2.476 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: 1, replica: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -50.602900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.602900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.602900 (E_RNA) where: Base-Base interactions energy: -18.006 where: short stacking energy: -18.006 Base-Backbone interact. energy: -0.001 local terms energy: -32.595987 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -44.498059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.498059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.498059 (E_RNA) where: Base-Base interactions energy: -17.469 where: short stacking energy: -17.469 Base-Backbone interact. energy: -0.120 local terms energy: -26.908776 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -5.729 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: 3, replica: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -45.522243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.522243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.522243 (E_RNA) where: Base-Base interactions energy: -14.155 where: short stacking energy: -14.155 Base-Backbone interact. energy: -0.000 local terms energy: -31.366754 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -7.457 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -4.380 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: 356 Temperature: 1.050000 Total energy: -38.510085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.510085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.510085 (E_RNA) where: Base-Base interactions energy: -8.619 where: short stacking energy: -8.619 Base-Backbone interact. energy: -0.000 local terms energy: -29.890749 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -38.199842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.199842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.199842 (E_RNA) where: Base-Base interactions energy: -10.553 where: short stacking energy: -10.553 Base-Backbone interact. energy: -0.022 local terms energy: -27.625061 where: bonds (distance) C4'-P energy: -6.281 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -4.789 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: 6, replica: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -39.637077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.637077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.637077 (E_RNA) where: Base-Base interactions energy: -9.698 where: short stacking energy: -9.698 Base-Backbone interact. energy: -0.045 local terms energy: -29.894642 where: bonds (distance) C4'-P energy: -5.516 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -6.554 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: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -36.437939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.437939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.437939 (E_RNA) where: Base-Base interactions energy: -9.465 where: short stacking energy: -9.465 Base-Backbone interact. energy: -0.017 local terms energy: -26.956043 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -2.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -31.275312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.275312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.275312 (E_RNA) where: Base-Base interactions energy: -9.196 where: short stacking energy: -9.196 Base-Backbone interact. energy: -0.278 local terms energy: -21.800909 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -1.903 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: 3 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -36.168604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.168604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.168604 (E_RNA) where: Base-Base interactions energy: -10.676 where: short stacking energy: -10.676 Base-Backbone interact. energy: -0.022 local terms energy: -25.469920 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -6.939 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -5.499 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: 10, replica: 6 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -31.583952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.583952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.583952 (E_RNA) where: Base-Base interactions energy: -6.600 where: short stacking energy: -5.992 Base-Backbone interact. energy: -0.138 local terms energy: -24.846810 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -7.221 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -0.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -43.978146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.978146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.978146 (E_RNA) where: Base-Base interactions energy: -14.095 where: short stacking energy: -14.095 Base-Backbone interact. energy: -0.000 local terms energy: -29.883459 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -5.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -39.456305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.456305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.456305 (E_RNA) where: Base-Base interactions energy: -10.762 where: short stacking energy: -10.762 Base-Backbone interact. energy: -0.001 local terms energy: -28.693651 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -42.127529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.127529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.127529 (E_RNA) where: Base-Base interactions energy: -14.807 where: short stacking energy: -14.807 Base-Backbone interact. energy: -0.000 local terms energy: -27.320802 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.358 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: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -38.619455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.619455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.619455 (E_RNA) where: Base-Base interactions energy: -11.689 where: short stacking energy: -11.689 Base-Backbone interact. energy: -0.002 local terms energy: -26.928913 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -5.109 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -37.336369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.336369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.336369 (E_RNA) where: Base-Base interactions energy: -11.411 where: short stacking energy: -11.911 Base-Backbone interact. energy: 1.004 local terms energy: -26.929508 where: bonds (distance) C4'-P energy: -6.368 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -33.621911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.621911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.621911 (E_RNA) where: Base-Base interactions energy: -6.323 where: short stacking energy: -6.323 Base-Backbone interact. energy: -0.066 local terms energy: -27.233474 where: bonds (distance) C4'-P energy: -7.106 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -36.278677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.278677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.278677 (E_RNA) where: Base-Base interactions energy: -9.318 where: short stacking energy: -9.318 Base-Backbone interact. energy: -1.151 local terms energy: -25.809765 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -6.393 flat angles C4'-P-C4' energy: -3.227 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: -4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -36.123511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.123511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.123511 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.060 local terms energy: -24.480500 where: bonds (distance) C4'-P energy: -3.756 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -31.215549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.215549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.215549 (E_RNA) where: Base-Base interactions energy: -7.574 where: short stacking energy: -7.574 Base-Backbone interact. energy: -0.027 local terms energy: -23.614923 where: bonds (distance) C4'-P energy: -6.836 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -3.090 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: 10, replica: 6 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -33.396623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.396623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.396623 (E_RNA) where: Base-Base interactions energy: -5.680 where: short stacking energy: -5.680 Base-Backbone interact. energy: -0.000 local terms energy: -27.716301 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -52.865525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.865525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.865525 (E_RNA) where: Base-Base interactions energy: -19.737 where: short stacking energy: -19.737 Base-Backbone interact. energy: -0.000 local terms energy: -33.128320 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -8.375 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: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -42.385342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.385342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.385342 (E_RNA) where: Base-Base interactions energy: -15.207 where: short stacking energy: -15.207 Base-Backbone interact. energy: -0.090 local terms energy: -27.087993 where: bonds (distance) C4'-P energy: -6.402 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -3.788 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: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -37.429035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.429035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.429035 (E_RNA) where: Base-Base interactions energy: -8.021 where: short stacking energy: -8.021 Base-Backbone interact. energy: -0.001 local terms energy: -29.406763 where: bonds (distance) C4'-P energy: -6.551 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -5.991 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -43.994815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.994815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.994815 (E_RNA) where: Base-Base interactions energy: -16.035 where: short stacking energy: -16.035 Base-Backbone interact. energy: -0.000 local terms energy: -27.959738 where: bonds (distance) C4'-P energy: -4.449 bonds (distance) P-C4' energy: -4.936 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -6.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -35.872645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.872645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.872645 (E_RNA) where: Base-Base interactions energy: -8.128 where: short stacking energy: -8.128 Base-Backbone interact. energy: -0.103 local terms energy: -27.641776 where: bonds (distance) C4'-P energy: -6.473 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -5.520 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: 6, replica: 10 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -41.676789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.676789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.676789 (E_RNA) where: Base-Base interactions energy: -14.868 where: short stacking energy: -14.868 Base-Backbone interact. energy: -0.012 local terms energy: -26.796187 where: bonds (distance) C4'-P energy: -4.928 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -5.520 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: 3 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -36.653788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.653788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.653788 (E_RNA) where: Base-Base interactions energy: -9.445 where: short stacking energy: -9.445 Base-Backbone interact. energy: -0.000 local terms energy: -27.208410 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -3.491 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -33.811587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.811587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.811587 (E_RNA) where: Base-Base interactions energy: -8.493 where: short stacking energy: -8.493 Base-Backbone interact. energy: -0.000 local terms energy: -25.318399 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -6.608 flat angles C4'-P-C4' energy: -4.174 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -4.875 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: 6 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -34.622475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.622475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.622475 (E_RNA) where: Base-Base interactions energy: -9.399 where: short stacking energy: -9.399 Base-Backbone interact. energy: -0.025 local terms energy: -25.198791 where: bonds (distance) C4'-P energy: -3.842 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -4.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -29.537050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.537050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.537050 (E_RNA) where: Base-Base interactions energy: -4.838 where: short stacking energy: -3.846 Base-Backbone interact. energy: -0.016 local terms energy: -24.682710 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: 0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -48.954889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.954889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.954889 (E_RNA) where: Base-Base interactions energy: -19.173 where: short stacking energy: -19.173 Base-Backbone interact. energy: -0.047 local terms energy: -29.735076 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -3.672 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: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -39.198735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.198735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.198735 (E_RNA) where: Base-Base interactions energy: -14.851 where: short stacking energy: -13.183 Base-Backbone interact. energy: -0.101 local terms energy: -24.246393 where: bonds (distance) C4'-P energy: -5.494 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: 0.516 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: 359 Temperature: 1.000000 Total energy: -43.310899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.310899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.310899 (E_RNA) where: Base-Base interactions energy: -14.163 where: short stacking energy: -13.523 Base-Backbone interact. energy: -0.016 local terms energy: -29.131605 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -6.513 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -4.362 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: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -43.340521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.340521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.340521 (E_RNA) where: Base-Base interactions energy: -11.056 where: short stacking energy: -11.056 Base-Backbone interact. energy: -0.026 local terms energy: -32.258395 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -5.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -40.025293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.025293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.025293 (E_RNA) where: Base-Base interactions energy: -10.451 where: short stacking energy: -9.676 Base-Backbone interact. energy: -0.163 local terms energy: -29.410702 where: bonds (distance) C4'-P energy: -7.113 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -31.472004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.472004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.472004 (E_RNA) where: Base-Base interactions energy: -5.598 where: short stacking energy: -3.653 Base-Backbone interact. energy: -0.001 local terms energy: -25.872032 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -4.241 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: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -37.350422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.350422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.350422 (E_RNA) where: Base-Base interactions energy: -9.218 where: short stacking energy: -9.218 Base-Backbone interact. energy: -0.003 local terms energy: -28.129510 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -4.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -29.800461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.800461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.800461 (E_RNA) where: Base-Base interactions energy: -7.482 where: short stacking energy: -7.482 Base-Backbone interact. energy: -0.225 local terms energy: -22.092822 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -2.442 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: 0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -32.817797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.817797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.817797 (E_RNA) where: Base-Base interactions energy: -5.624 where: short stacking energy: -5.321 Base-Backbone interact. energy: -0.022 local terms energy: -27.172258 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -5.138 flat angles C4'-P-C4' energy: -7.969 flat angles P-C4'-P energy: -6.467 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: 10, replica: 1 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -29.820419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.820419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.820419 (E_RNA) where: Base-Base interactions energy: -4.672 where: short stacking energy: -4.672 Base-Backbone interact. energy: -0.000 local terms energy: -25.147801 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -5.917 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -47.519604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.519604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.519604 (E_RNA) where: Base-Base interactions energy: -16.648 where: short stacking energy: -16.648 Base-Backbone interact. energy: -0.057 local terms energy: -30.814475 where: bonds (distance) C4'-P energy: -5.677 bonds (distance) P-C4' energy: -7.450 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -44.320584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.320584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.320584 (E_RNA) where: Base-Base interactions energy: -13.761 where: short stacking energy: -10.088 Base-Backbone interact. energy: -0.097 local terms energy: -30.462903 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -4.133 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: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -45.872743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.872743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.872743 (E_RNA) where: Base-Base interactions energy: -17.547 where: short stacking energy: -17.547 Base-Backbone interact. energy: -0.002 local terms energy: -28.322941 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -38.143745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.143745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.143745 (E_RNA) where: Base-Base interactions energy: -10.248 where: short stacking energy: -10.248 Base-Backbone interact. energy: -0.046 local terms energy: -27.850254 where: bonds (distance) C4'-P energy: -7.034 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -36.624318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.624318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.624318 (E_RNA) where: Base-Base interactions energy: -11.521 where: short stacking energy: -11.521 Base-Backbone interact. energy: -0.000 local terms energy: -25.103706 where: bonds (distance) C4'-P energy: -5.996 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -32.793540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.793540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.793540 (E_RNA) where: Base-Base interactions energy: -8.988 where: short stacking energy: -8.988 Base-Backbone interact. energy: -0.010 local terms energy: -23.795740 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -34.641529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.641529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.641529 (E_RNA) where: Base-Base interactions energy: -8.332 where: short stacking energy: -8.332 Base-Backbone interact. energy: -0.000 local terms energy: -26.309941 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -3.960 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: 10 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -32.811746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.811746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.811746 (E_RNA) where: Base-Base interactions energy: -6.974 where: short stacking energy: -5.181 Base-Backbone interact. energy: -0.082 local terms energy: -25.756241 where: bonds (distance) C4'-P energy: -5.772 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -4.162 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: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -35.137982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.137982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.137982 (E_RNA) where: Base-Base interactions energy: -8.799 where: short stacking energy: -8.799 Base-Backbone interact. energy: -0.166 local terms energy: -26.172519 where: bonds (distance) C4'-P energy: -6.451 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -2.802 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: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -28.542596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.542596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.542596 (E_RNA) where: Base-Base interactions energy: -5.410 where: short stacking energy: -5.410 Base-Backbone interact. energy: -0.115 local terms energy: -23.016926 where: bonds (distance) C4'-P energy: -4.373 bonds (distance) P-C4' energy: -8.137 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -4.738 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: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -43.044464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.044464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.044464 (E_RNA) where: Base-Base interactions energy: -9.267 where: short stacking energy: -9.267 Base-Backbone interact. energy: -0.031 local terms energy: -33.746899 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -6.980 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: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -49.944164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.944164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.944164 (E_RNA) where: Base-Base interactions energy: -17.309 where: short stacking energy: -16.450 Base-Backbone interact. energy: -0.109 local terms energy: -32.526246 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -44.468573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.468573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.468573 (E_RNA) where: Base-Base interactions energy: -19.995 where: short stacking energy: -17.981 Base-Backbone interact. energy: -0.003 local terms energy: -24.470967 where: bonds (distance) C4'-P energy: -5.630 bonds (distance) P-C4' energy: -6.774 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -5.946 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: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -37.857420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.857420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.857420 (E_RNA) where: Base-Base interactions energy: -11.215 where: short stacking energy: -10.612 Base-Backbone interact. energy: -0.294 local terms energy: -26.349177 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -5.985 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: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -38.228197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.228197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.228197 (E_RNA) where: Base-Base interactions energy: -9.758 where: short stacking energy: -9.758 Base-Backbone interact. energy: -0.106 local terms energy: -28.363437 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -2.273 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: 6, replica: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -38.353339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.353339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.353339 (E_RNA) where: Base-Base interactions energy: -10.405 where: short stacking energy: -10.405 Base-Backbone interact. energy: -0.067 local terms energy: -27.880966 where: bonds (distance) C4'-P energy: -6.413 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -4.912 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: 7, replica: 2 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -33.821764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.821764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.821764 (E_RNA) where: Base-Base interactions energy: -13.131 where: short stacking energy: -13.131 Base-Backbone interact. energy: -0.035 local terms energy: -20.656539 where: bonds (distance) C4'-P energy: -5.569 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -8.237 flat angles P-C4'-P energy: 2.240 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: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -35.482404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.482404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.482404 (E_RNA) where: Base-Base interactions energy: -8.122 where: short stacking energy: -8.122 Base-Backbone interact. energy: -0.029 local terms energy: -27.332120 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -3.710 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: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -30.919553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.919553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.919553 (E_RNA) where: Base-Base interactions energy: -5.447 where: short stacking energy: -5.447 Base-Backbone interact. energy: -0.061 local terms energy: -25.412090 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -5.584 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: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -37.552023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.552023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.552023 (E_RNA) where: Base-Base interactions energy: -8.706 where: short stacking energy: -8.486 Base-Backbone interact. energy: -0.006 local terms energy: -28.840171 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -3.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -44.241681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.241681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.241681 (E_RNA) where: Base-Base interactions energy: -15.201 where: short stacking energy: -11.915 Base-Backbone interact. energy: -0.125 local terms energy: -28.915009 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -4.968 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: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -39.338632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.338632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.338632 (E_RNA) where: Base-Base interactions energy: -8.423 where: short stacking energy: -8.423 Base-Backbone interact. energy: -0.219 local terms energy: -30.696326 where: bonds (distance) C4'-P energy: -7.147 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -5.735 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: 3, replica: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -47.399664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.399664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.399664 (E_RNA) where: Base-Base interactions energy: -15.068 where: short stacking energy: -15.068 Base-Backbone interact. energy: -0.017 local terms energy: -32.314923 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -5.261 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: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -47.639451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.639451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.639451 (E_RNA) where: Base-Base interactions energy: -16.969 where: short stacking energy: -9.460 Base-Backbone interact. energy: 0.315 local terms energy: -30.984584 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -5.526 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: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -37.959445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.959445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.959445 (E_RNA) where: Base-Base interactions energy: -10.947 where: short stacking energy: -10.947 Base-Backbone interact. energy: -0.043 local terms energy: -26.968742 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -3.826 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: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -34.137064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.137064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.137064 (E_RNA) where: Base-Base interactions energy: -5.473 where: short stacking energy: -4.835 Base-Backbone interact. energy: -0.007 local terms energy: -28.657116 where: bonds (distance) C4'-P energy: -5.942 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -4.376 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: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -40.633521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.633521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.633521 (E_RNA) where: Base-Base interactions energy: -10.214 where: short stacking energy: -10.214 Base-Backbone interact. energy: -0.105 local terms energy: -30.314267 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -4.389 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: 8, replica: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -33.999511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.999511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.999511 (E_RNA) where: Base-Base interactions energy: -5.592 where: short stacking energy: -5.592 Base-Backbone interact. energy: -0.039 local terms energy: -28.368955 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -28.849582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.849582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.849582 (E_RNA) where: Base-Base interactions energy: -4.703 where: short stacking energy: -4.703 Base-Backbone interact. energy: -0.065 local terms energy: -24.081944 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -5.675 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: 10, replica: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -31.505373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.505373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.505373 (E_RNA) where: Base-Base interactions energy: -7.742 where: short stacking energy: -7.742 Base-Backbone interact. energy: -0.139 local terms energy: -23.624068 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -4.239 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: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -44.628392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.628392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.628392 (E_RNA) where: Base-Base interactions energy: -17.407 where: short stacking energy: -17.407 Base-Backbone interact. energy: -0.036 local terms energy: -27.184897 where: bonds (distance) C4'-P energy: -6.551 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: -1.310 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: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -43.856552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.856552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.856552 (E_RNA) where: Base-Base interactions energy: -17.099 where: short stacking energy: -17.099 Base-Backbone interact. energy: -0.070 local terms energy: -26.688055 where: bonds (distance) C4'-P energy: -3.723 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -4.994 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: 3, replica: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -40.946717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.946717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.946717 (E_RNA) where: Base-Base interactions energy: -12.134 where: short stacking energy: -12.134 Base-Backbone interact. energy: -0.000 local terms energy: -28.812306 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -3.837 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: 4, replica: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -36.753105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.753105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.753105 (E_RNA) where: Base-Base interactions energy: -12.085 where: short stacking energy: -10.390 Base-Backbone interact. energy: -0.043 local terms energy: -24.625045 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -2.334 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: 5, replica: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -37.950904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.950904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.950904 (E_RNA) where: Base-Base interactions energy: -10.261 where: short stacking energy: -10.261 Base-Backbone interact. energy: -0.045 local terms energy: -27.644993 where: bonds (distance) C4'-P energy: -5.267 bonds (distance) P-C4' energy: -6.390 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -5.772 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: 6, replica: 10 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -30.131937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.131937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.131937 (E_RNA) where: Base-Base interactions energy: -5.804 where: short stacking energy: -5.804 Base-Backbone interact. energy: -0.009 local terms energy: -24.318511 where: bonds (distance) C4'-P energy: -5.730 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -3.401 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: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -36.374251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.374251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.374251 (E_RNA) where: Base-Base interactions energy: -11.433 where: short stacking energy: -11.433 Base-Backbone interact. energy: -0.095 local terms energy: -24.846290 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -36.265738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.265738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.265738 (E_RNA) where: Base-Base interactions energy: -10.534 where: short stacking energy: -10.534 Base-Backbone interact. energy: -0.041 local terms energy: -25.690813 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -3.421 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -34.219599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.219599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.219599 (E_RNA) where: Base-Base interactions energy: -6.625 where: short stacking energy: -6.625 Base-Backbone interact. energy: 0.047 local terms energy: -27.642254 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -30.577561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.577561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.577561 (E_RNA) where: Base-Base interactions energy: -5.713 where: short stacking energy: -5.713 Base-Backbone interact. energy: -0.081 local terms energy: -24.783347 where: bonds (distance) C4'-P energy: -4.699 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -7.414 flat angles P-C4'-P energy: -2.163 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -48.008283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.008283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.008283 (E_RNA) where: Base-Base interactions energy: -14.298 where: short stacking energy: -14.298 Base-Backbone interact. energy: -0.000 local terms energy: -33.709342 where: bonds (distance) C4'-P energy: -6.882 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -8.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -41.795703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.795703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.795703 (E_RNA) where: Base-Base interactions energy: -10.796 where: short stacking energy: -10.796 Base-Backbone interact. energy: -0.948 local terms energy: -30.052092 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -43.291763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.291763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.291763 (E_RNA) where: Base-Base interactions energy: -16.695 where: short stacking energy: -16.695 Base-Backbone interact. energy: -0.013 local terms energy: -26.583458 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -4.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -38.108197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.108197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.108197 (E_RNA) where: Base-Base interactions energy: -9.451 where: short stacking energy: -9.451 Base-Backbone interact. energy: -0.100 local terms energy: -28.557204 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -37.135963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.135963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.135963 (E_RNA) where: Base-Base interactions energy: -9.651 where: short stacking energy: -9.651 Base-Backbone interact. energy: -0.160 local terms energy: -27.324740 where: bonds (distance) C4'-P energy: -5.383 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -38.040560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.040560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.040560 (E_RNA) where: Base-Base interactions energy: -12.119 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.000 local terms energy: -25.921194 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -3.567 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: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -39.752624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.752624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.752624 (E_RNA) where: Base-Base interactions energy: -13.540 where: short stacking energy: -12.618 Base-Backbone interact. energy: 0.326 local terms energy: -26.538242 where: bonds (distance) C4'-P energy: -5.213 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -29.189711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.189711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.189711 (E_RNA) where: Base-Base interactions energy: -6.460 where: short stacking energy: -6.460 Base-Backbone interact. energy: -0.015 local terms energy: -22.713983 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.702 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: 364 Temperature: 1.300000 Total energy: -29.722980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.722980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.722980 (E_RNA) where: Base-Base interactions energy: -7.952 where: short stacking energy: -7.952 Base-Backbone interact. energy: -0.131 local terms energy: -21.639946 where: bonds (distance) C4'-P energy: -6.458 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -3.612 flat angles P-C4'-P energy: -5.954 tors. eta vs tors. theta energy: 0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -32.318587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.318587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.318587 (E_RNA) where: Base-Base interactions energy: -7.758 where: short stacking energy: -7.758 Base-Backbone interact. energy: -0.010 local terms energy: -24.550592 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -46.964620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.964620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.964620 (E_RNA) where: Base-Base interactions energy: -14.494 where: short stacking energy: -14.494 Base-Backbone interact. energy: -0.000 local terms energy: -32.470198 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -37.763636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.763636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.763636 (E_RNA) where: Base-Base interactions energy: -10.558 where: short stacking energy: -10.558 Base-Backbone interact. energy: -0.010 local terms energy: -27.194909 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -5.108 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: 3, replica: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -36.422472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.422472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.422472 (E_RNA) where: Base-Base interactions energy: -12.369 where: short stacking energy: -10.609 Base-Backbone interact. energy: -0.099 local terms energy: -23.954827 where: bonds (distance) C4'-P energy: -6.011 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -3.183 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: 4, replica: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -37.485394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.485394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.485394 (E_RNA) where: Base-Base interactions energy: -8.305 where: short stacking energy: -8.305 Base-Backbone interact. energy: -0.196 local terms energy: -28.985226 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -5.954 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -36.277682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.277682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.277682 (E_RNA) where: Base-Base interactions energy: -5.141 where: short stacking energy: -5.141 Base-Backbone interact. energy: -0.007 local terms energy: -31.129829 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -5.717 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: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -39.313694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.313694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.313694 (E_RNA) where: Base-Base interactions energy: -8.642 where: short stacking energy: -8.642 Base-Backbone interact. energy: -0.208 local terms energy: -30.463557 where: bonds (distance) C4'-P energy: -6.430 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -8.208 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -3.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -38.702336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.702336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.702336 (E_RNA) where: Base-Base interactions energy: -10.719 where: short stacking energy: -10.719 Base-Backbone interact. energy: -0.186 local terms energy: -27.797154 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -6.570 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: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -31.470768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.470768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.470768 (E_RNA) where: Base-Base interactions energy: -4.321 where: short stacking energy: -4.321 Base-Backbone interact. energy: -0.019 local terms energy: -27.130967 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -5.039 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: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -32.460918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.460918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.460918 (E_RNA) where: Base-Base interactions energy: -6.235 where: short stacking energy: -6.235 Base-Backbone interact. energy: -0.011 local terms energy: -26.214785 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -8.137 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: 0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -32.231235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.231235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.231235 (E_RNA) where: Base-Base interactions energy: -5.987 where: short stacking energy: -5.624 Base-Backbone interact. energy: -0.003 local terms energy: -26.241568 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -2.694 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: 1, replica: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -43.174702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.174702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.174702 (E_RNA) where: Base-Base interactions energy: -12.729 where: short stacking energy: -11.307 Base-Backbone interact. energy: -0.189 local terms energy: -30.256293 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -48.892712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.892712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.892712 (E_RNA) where: Base-Base interactions energy: -17.803 where: short stacking energy: -17.803 Base-Backbone interact. energy: -0.036 local terms energy: -31.053780 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -1.327 tors. eta vs tors. theta energy: -8.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -39.845456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.845456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.845456 (E_RNA) where: Base-Base interactions energy: -16.355 where: short stacking energy: -16.355 Base-Backbone interact. energy: -0.005 local terms energy: -23.484796 where: bonds (distance) C4'-P energy: -6.058 bonds (distance) P-C4' energy: -7.301 flat angles C4'-P-C4' energy: -2.840 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -3.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -41.179951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.179951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.179951 (E_RNA) where: Base-Base interactions energy: -11.298 where: short stacking energy: -11.298 Base-Backbone interact. energy: -0.004 local terms energy: -29.877583 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -6.439 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: 5, replica: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -43.982695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.982695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.982695 (E_RNA) where: Base-Base interactions energy: -16.018 where: short stacking energy: -13.628 Base-Backbone interact. energy: -0.169 local terms energy: -27.795453 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.224 flat angles C4'-P-C4' energy: -2.916 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -4.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -36.024214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.024214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.024214 (E_RNA) where: Base-Base interactions energy: -11.806 where: short stacking energy: -11.806 Base-Backbone interact. energy: -0.105 local terms energy: -24.112256 where: bonds (distance) C4'-P energy: -5.523 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: 0.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -28.454292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.454292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.454292 (E_RNA) where: Base-Base interactions energy: -8.590 where: short stacking energy: -9.197 Base-Backbone interact. energy: 0.154 local terms energy: -20.017556 where: bonds (distance) C4'-P energy: -5.035 bonds (distance) P-C4' energy: -5.565 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -33.102529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.102529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.102529 (E_RNA) where: Base-Base interactions energy: -4.909 where: short stacking energy: -4.909 Base-Backbone interact. energy: -0.001 local terms energy: -28.192199 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -33.120884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.120884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.120884 (E_RNA) where: Base-Base interactions energy: -6.576 where: short stacking energy: -6.576 Base-Backbone interact. energy: -0.022 local terms energy: -26.523126 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.578 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: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -32.535847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.535847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.535847 (E_RNA) where: Base-Base interactions energy: -6.331 where: short stacking energy: -6.331 Base-Backbone interact. energy: 0.125 local terms energy: -26.329386 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -6.673 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: 1, replica: 5 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -43.540406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.540406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.540406 (E_RNA) where: Base-Base interactions energy: -15.133 where: short stacking energy: -15.133 Base-Backbone interact. energy: -0.089 local terms energy: -28.317887 where: bonds (distance) C4'-P energy: -6.013 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -4.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -41.329504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.329504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.329504 (E_RNA) where: Base-Base interactions energy: -12.830 where: short stacking energy: -12.830 Base-Backbone interact. energy: -0.043 local terms energy: -28.456797 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -3.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -37.593204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.593204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.593204 (E_RNA) where: Base-Base interactions energy: -7.639 where: short stacking energy: -7.121 Base-Backbone interact. energy: -0.138 local terms energy: -29.815776 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -4.650 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: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -39.730864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.730864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.730864 (E_RNA) where: Base-Base interactions energy: -14.293 where: short stacking energy: -11.164 Base-Backbone interact. energy: -1.145 local terms energy: -24.293038 where: bonds (distance) C4'-P energy: -7.515 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -5.773 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: 5, replica: 9 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -36.571381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.571381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.571381 (E_RNA) where: Base-Base interactions energy: -9.196 where: short stacking energy: -8.631 Base-Backbone interact. energy: -0.000 local terms energy: -27.375595 where: bonds (distance) C4'-P energy: -7.217 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -0.630 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: 6, replica: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -39.433389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.433389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.433389 (E_RNA) where: Base-Base interactions energy: -11.943 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.648 local terms energy: -26.841849 where: bonds (distance) C4'-P energy: -6.409 bonds (distance) P-C4' energy: -7.678 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -2.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -36.356334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.356334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.356334 (E_RNA) where: Base-Base interactions energy: -12.609 where: short stacking energy: -12.609 Base-Backbone interact. energy: -0.000 local terms energy: -23.747580 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -36.110236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.110236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.110236 (E_RNA) where: Base-Base interactions energy: -11.285 where: short stacking energy: -11.693 Base-Backbone interact. energy: -0.115 local terms energy: -24.710837 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -6.633 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -6.193 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: 9, replica: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -31.484906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.484906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.484906 (E_RNA) where: Base-Base interactions energy: -4.839 where: short stacking energy: -4.839 Base-Backbone interact. energy: -0.003 local terms energy: -26.642659 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -27.832400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.832400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.832400 (E_RNA) where: Base-Base interactions energy: -4.178 where: short stacking energy: -3.343 Base-Backbone interact. energy: -0.075 local terms energy: -23.579597 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: 2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -46.310209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.310209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.310209 (E_RNA) where: Base-Base interactions energy: -17.321 where: short stacking energy: -17.321 Base-Backbone interact. energy: -0.015 local terms energy: -28.973544 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -39.700858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.700858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.700858 (E_RNA) where: Base-Base interactions energy: -11.570 where: short stacking energy: -11.570 Base-Backbone interact. energy: -0.161 local terms energy: -27.970028 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.712 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -1.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -47.467245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.467245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.467245 (E_RNA) where: Base-Base interactions energy: -20.326 where: short stacking energy: -20.326 Base-Backbone interact. energy: -0.109 local terms energy: -27.032892 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -1.404 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: 4, replica: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -39.866269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.866269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.866269 (E_RNA) where: Base-Base interactions energy: -12.628 where: short stacking energy: -10.236 Base-Backbone interact. energy: -0.016 local terms energy: -27.221879 where: bonds (distance) C4'-P energy: -5.346 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -40.867573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.867573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.867573 (E_RNA) where: Base-Base interactions energy: -12.958 where: short stacking energy: -12.958 Base-Backbone interact. energy: -0.017 local terms energy: -27.892732 where: bonds (distance) C4'-P energy: -4.885 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -38.778366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.778366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.778366 (E_RNA) where: Base-Base interactions energy: -10.318 where: short stacking energy: -9.236 Base-Backbone interact. energy: -0.773 local terms energy: -27.687504 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -7.228 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -38.732979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.732979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.732979 (E_RNA) where: Base-Base interactions energy: -10.117 where: short stacking energy: -10.117 Base-Backbone interact. energy: -0.010 local terms energy: -28.606261 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: 0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -31.016714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.016714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.016714 (E_RNA) where: Base-Base interactions energy: -8.480 where: short stacking energy: -8.480 Base-Backbone interact. energy: -0.051 local terms energy: -22.486260 where: bonds (distance) C4'-P energy: -3.358 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: 0.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -32.110010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.110010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.110010 (E_RNA) where: Base-Base interactions energy: -7.371 where: short stacking energy: -7.371 Base-Backbone interact. energy: -0.008 local terms energy: -24.731447 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -0.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -30.070326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.070326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.070326 (E_RNA) where: Base-Base interactions energy: -5.820 where: short stacking energy: -5.820 Base-Backbone interact. energy: -0.109 local terms energy: -24.141688 where: bonds (distance) C4'-P energy: -5.669 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: 0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -44.769338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.769338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.769338 (E_RNA) where: Base-Base interactions energy: -13.013 where: short stacking energy: -13.013 Base-Backbone interact. energy: -0.035 local terms energy: -31.721456 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -4.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -45.187685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.187685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.187685 (E_RNA) where: Base-Base interactions energy: -13.789 where: short stacking energy: -13.789 Base-Backbone interact. energy: -0.091 local terms energy: -31.307193 where: bonds (distance) C4'-P energy: -6.579 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -5.506 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: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -41.711504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.711504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.711504 (E_RNA) where: Base-Base interactions energy: -10.417 where: short stacking energy: -7.967 Base-Backbone interact. energy: -0.099 local terms energy: -31.195428 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -4.434 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: 4, replica: 4 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -39.092753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.092753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.092753 (E_RNA) where: Base-Base interactions energy: -11.624 where: short stacking energy: -11.624 Base-Backbone interact. energy: -0.001 local terms energy: -27.468292 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -5.399 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -3.808 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: 5, replica: 10 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -35.998862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.998862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.998862 (E_RNA) where: Base-Base interactions energy: -9.034 where: short stacking energy: -9.034 Base-Backbone interact. energy: -0.003 local terms energy: -26.961928 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.386 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: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -42.410904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.410904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.410904 (E_RNA) where: Base-Base interactions energy: -16.793 where: short stacking energy: -14.745 Base-Backbone interact. energy: -0.001 local terms energy: -25.617473 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -2.823 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -41.239958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.239958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.239958 (E_RNA) where: Base-Base interactions energy: -12.200 where: short stacking energy: -12.200 Base-Backbone interact. energy: -0.009 local terms energy: -29.030720 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -3.892 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: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -32.678036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.678036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.678036 (E_RNA) where: Base-Base interactions energy: -6.541 where: short stacking energy: -6.541 Base-Backbone interact. energy: -0.024 local terms energy: -26.113219 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: 0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -35.405814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.405814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.405814 (E_RNA) where: Base-Base interactions energy: -7.380 where: short stacking energy: -7.380 Base-Backbone interact. energy: -0.013 local terms energy: -28.012756 where: bonds (distance) C4'-P energy: -4.290 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -28.719047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.719047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.719047 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.478 Base-Backbone interact. energy: -0.011 local terms energy: -21.230021 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -6.633 flat angles C4'-P-C4' energy: -2.339 flat angles P-C4'-P energy: -4.015 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: 1, replica: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -42.784717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.784717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.784717 (E_RNA) where: Base-Base interactions energy: -11.026 where: short stacking energy: -11.026 Base-Backbone interact. energy: -0.108 local terms energy: -31.650583 where: bonds (distance) C4'-P energy: -7.742 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -5.256 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: 2, replica: 6 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -43.216073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.216073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.216073 (E_RNA) where: Base-Base interactions energy: -10.863 where: short stacking energy: -10.863 Base-Backbone interact. energy: -0.080 local terms energy: -32.273096 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -4.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -36.616066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.616066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.616066 (E_RNA) where: Base-Base interactions energy: -6.570 where: short stacking energy: -6.570 Base-Backbone interact. energy: -0.059 local terms energy: -29.986977 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -5.125 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -41.643536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.643536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.643536 (E_RNA) where: Base-Base interactions energy: -13.298 where: short stacking energy: -10.638 Base-Backbone interact. energy: -0.038 local terms energy: -28.307584 where: bonds (distance) C4'-P energy: -6.360 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -4.133 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: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -37.445869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.445869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.445869 (E_RNA) where: Base-Base interactions energy: -10.206 where: short stacking energy: -10.206 Base-Backbone interact. energy: -0.007 local terms energy: -27.233347 where: bonds (distance) C4'-P energy: -6.153 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -5.320 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: 6, replica: 10 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -32.780727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.780727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.780727 (E_RNA) where: Base-Base interactions energy: -11.537 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.009 local terms energy: -21.234833 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: 0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -42.331565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.331565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.331565 (E_RNA) where: Base-Base interactions energy: -11.209 where: short stacking energy: -11.209 Base-Backbone interact. energy: -0.179 local terms energy: -30.943762 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -5.950 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: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -31.116567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.116567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.116567 (E_RNA) where: Base-Base interactions energy: -4.137 where: short stacking energy: -4.137 Base-Backbone interact. energy: -0.002 local terms energy: -26.977245 where: bonds (distance) C4'-P energy: -5.789 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -4.540 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: 9, replica: 3 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -30.082386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.082386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.082386 (E_RNA) where: Base-Base interactions energy: -5.087 where: short stacking energy: -5.087 Base-Backbone interact. energy: -0.016 local terms energy: -24.979028 where: bonds (distance) C4'-P energy: -7.346 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -4.205 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: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -29.454910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.454910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.454910 (E_RNA) where: Base-Base interactions energy: -7.468 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.000 local terms energy: -21.986903 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: 1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -44.559487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.559487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.559487 (E_RNA) where: Base-Base interactions energy: -11.290 where: short stacking energy: -11.290 Base-Backbone interact. energy: -0.910 local terms energy: -32.359596 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -40.602822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.602822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.602822 (E_RNA) where: Base-Base interactions energy: -11.277 where: short stacking energy: -11.277 Base-Backbone interact. energy: -0.053 local terms energy: -29.272718 where: bonds (distance) C4'-P energy: -5.632 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -35.847777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.847777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.847777 (E_RNA) where: Base-Base interactions energy: -10.064 where: short stacking energy: -10.064 Base-Backbone interact. energy: -0.044 local terms energy: -25.740476 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -39.344271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.344271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.344271 (E_RNA) where: Base-Base interactions energy: -10.935 where: short stacking energy: -10.935 Base-Backbone interact. energy: -0.037 local terms energy: -28.372153 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -36.657973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.657973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.657973 (E_RNA) where: Base-Base interactions energy: -10.854 where: short stacking energy: -9.582 Base-Backbone interact. energy: -0.098 local terms energy: -25.706002 where: bonds (distance) C4'-P energy: -5.888 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -2.770 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: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -35.883472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.883472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.883472 (E_RNA) where: Base-Base interactions energy: -11.417 where: short stacking energy: -11.417 Base-Backbone interact. energy: -0.099 local terms energy: -24.367530 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -3.812 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: 7, replica: 10 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -36.545926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.545926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.545926 (E_RNA) where: Base-Base interactions energy: -12.275 where: short stacking energy: -12.275 Base-Backbone interact. energy: -0.023 local terms energy: -24.247653 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -3.033 flat angles P-C4'-P energy: -5.204 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -40.192602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.192602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.192602 (E_RNA) where: Base-Base interactions energy: -11.096 where: short stacking energy: -11.096 Base-Backbone interact. energy: -0.066 local terms energy: -29.030017 where: bonds (distance) C4'-P energy: -4.592 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -5.450 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: 9, replica: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -34.346599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.346599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.346599 (E_RNA) where: Base-Base interactions energy: -6.789 where: short stacking energy: -6.789 Base-Backbone interact. energy: -0.001 local terms energy: -27.556757 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -30.722079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.722079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.722079 (E_RNA) where: Base-Base interactions energy: -10.259 where: short stacking energy: -10.259 Base-Backbone interact. energy: -0.069 local terms energy: -20.394690 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -7.258 flat angles C4'-P-C4' energy: -3.037 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -42.603640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.603640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.603640 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.004 local terms energy: -32.659349 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -6.704 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: 2, replica: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -50.759102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.759102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.759102 (E_RNA) where: Base-Base interactions energy: -16.779 where: short stacking energy: -16.779 Base-Backbone interact. energy: 0.080 local terms energy: -34.060152 where: bonds (distance) C4'-P energy: -7.618 bonds (distance) P-C4' energy: -4.385 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -7.988 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: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -35.871224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.871224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.871224 (E_RNA) where: Base-Base interactions energy: -6.576 where: short stacking energy: -6.576 Base-Backbone interact. energy: -0.400 local terms energy: -28.895216 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -3.988 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: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -39.856246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.856246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.856246 (E_RNA) where: Base-Base interactions energy: -11.672 where: short stacking energy: -11.672 Base-Backbone interact. energy: -0.012 local terms energy: -28.171830 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -6.102 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: 5, replica: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -35.473398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.473398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.473398 (E_RNA) where: Base-Base interactions energy: -9.383 where: short stacking energy: -9.383 Base-Backbone interact. energy: -0.001 local terms energy: -26.089792 where: bonds (distance) C4'-P energy: -5.851 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -3.741 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: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -38.178687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.178687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.178687 (E_RNA) where: Base-Base interactions energy: -9.685 where: short stacking energy: -9.551 Base-Backbone interact. energy: -0.112 local terms energy: -28.382149 where: bonds (distance) C4'-P energy: -3.919 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -5.795 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: 3 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -35.413407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.413407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.413407 (E_RNA) where: Base-Base interactions energy: -8.381 where: short stacking energy: -8.381 Base-Backbone interact. energy: -0.001 local terms energy: -27.031185 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -1.928 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: 8, replica: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -31.716519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.716519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.716519 (E_RNA) where: Base-Base interactions energy: -9.218 where: short stacking energy: -9.218 Base-Backbone interact. energy: -0.080 local terms energy: -22.417754 where: bonds (distance) C4'-P energy: -3.181 bonds (distance) P-C4' energy: -5.969 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -6.211 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -33.205503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.205503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.205503 (E_RNA) where: Base-Base interactions energy: -5.638 where: short stacking energy: -5.638 Base-Backbone interact. energy: -0.166 local terms energy: -27.401479 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -3.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -34.308061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.308061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.308061 (E_RNA) where: Base-Base interactions energy: -10.812 where: short stacking energy: -10.812 Base-Backbone interact. energy: -1.182 local terms energy: -22.314209 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -0.365 tors. eta vs tors. theta energy: -4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -41.420643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.420643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.420643 (E_RNA) where: Base-Base interactions energy: -9.303 where: short stacking energy: -9.303 Base-Backbone interact. energy: -0.001 local terms energy: -32.116903 where: bonds (distance) C4'-P energy: -7.386 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -44.384531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.384531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.384531 (E_RNA) where: Base-Base interactions energy: -13.780 where: short stacking energy: -13.780 Base-Backbone interact. energy: -0.848 local terms energy: -29.756442 where: bonds (distance) C4'-P energy: -5.267 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -43.182758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.182758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.182758 (E_RNA) where: Base-Base interactions energy: -12.834 where: short stacking energy: -12.834 Base-Backbone interact. energy: -0.000 local terms energy: -30.348610 where: bonds (distance) C4'-P energy: -6.277 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -39.382932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.382932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.382932 (E_RNA) where: Base-Base interactions energy: -12.131 where: short stacking energy: -12.131 Base-Backbone interact. energy: -0.219 local terms energy: -27.033287 where: bonds (distance) C4'-P energy: -6.219 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -5.953 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: 5, replica: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -37.664010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.664010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.664010 (E_RNA) where: Base-Base interactions energy: -11.107 where: short stacking energy: -11.107 Base-Backbone interact. energy: -0.046 local terms energy: -26.510812 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -6.822 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -5.263 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: 6, replica: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -47.666643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.666643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.666643 (E_RNA) where: Base-Base interactions energy: -23.670 where: short stacking energy: -20.658 Base-Backbone interact. energy: -0.000 local terms energy: -23.996603 where: bonds (distance) C4'-P energy: -6.171 bonds (distance) P-C4' energy: -5.687 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -2.352 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: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -38.184581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.184581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.184581 (E_RNA) where: Base-Base interactions energy: -11.741 where: short stacking energy: -11.741 Base-Backbone interact. energy: -0.089 local terms energy: -26.355089 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -2.360 tors. eta vs tors. theta energy: -5.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -30.377058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.377058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.377058 (E_RNA) where: Base-Base interactions energy: -2.468 where: short stacking energy: -2.468 Base-Backbone interact. energy: -0.082 local terms energy: -27.827100 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -5.141 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: 9, replica: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -32.898109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.898109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.898109 (E_RNA) where: Base-Base interactions energy: -7.098 where: short stacking energy: -7.098 Base-Backbone interact. energy: -0.029 local terms energy: -25.771146 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -5.502 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -33.278555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.278555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.278555 (E_RNA) where: Base-Base interactions energy: -8.687 where: short stacking energy: -7.313 Base-Backbone interact. energy: -0.008 local terms energy: -24.582801 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -2.525 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: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -41.781014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.781014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.781014 (E_RNA) where: Base-Base interactions energy: -12.730 where: short stacking energy: -10.993 Base-Backbone interact. energy: -0.024 local terms energy: -29.027026 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -2.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -41.869949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.869949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.869949 (E_RNA) where: Base-Base interactions energy: -10.472 where: short stacking energy: -10.472 Base-Backbone interact. energy: -0.002 local terms energy: -31.395140 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -6.259 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: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -39.956474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.956474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.956474 (E_RNA) where: Base-Base interactions energy: -13.283 where: short stacking energy: -13.283 Base-Backbone interact. energy: -0.007 local terms energy: -26.666924 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -3.428 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -42.677018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.677018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.677018 (E_RNA) where: Base-Base interactions energy: -15.016 where: short stacking energy: -11.597 Base-Backbone interact. energy: -0.173 local terms energy: -27.488225 where: bonds (distance) C4'-P energy: -5.926 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -5.247 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: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -32.542412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.542412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.542412 (E_RNA) where: Base-Base interactions energy: -10.137 where: short stacking energy: -10.137 Base-Backbone interact. energy: -0.047 local terms energy: -22.357775 where: bonds (distance) C4'-P energy: -6.241 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: 0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -33.070896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.070896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.070896 (E_RNA) where: Base-Base interactions energy: -6.367 where: short stacking energy: -6.367 Base-Backbone interact. energy: 0.074 local terms energy: -26.777871 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -36.927027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.927027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.927027 (E_RNA) where: Base-Base interactions energy: -8.844 where: short stacking energy: -8.844 Base-Backbone interact. energy: -0.022 local terms energy: -28.060842 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -6.936 flat angles C4'-P-C4' energy: -8.584 flat angles P-C4'-P energy: -3.772 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: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -35.892971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.892971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.892971 (E_RNA) where: Base-Base interactions energy: -12.041 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.001 local terms energy: -23.851052 where: bonds (distance) C4'-P energy: -1.256 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -6.358 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: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -32.034345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.034345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.034345 (E_RNA) where: Base-Base interactions energy: -4.197 where: short stacking energy: -4.197 Base-Backbone interact. energy: -2.238 local terms energy: -25.599252 where: bonds (distance) C4'-P energy: -7.809 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -4.627 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: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -29.246408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.246408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.246408 (E_RNA) where: Base-Base interactions energy: -7.809 where: short stacking energy: -6.316 Base-Backbone interact. energy: -0.393 local terms energy: -21.044469 where: bonds (distance) C4'-P energy: -5.632 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -4.435 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: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -46.360376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.360376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.360376 (E_RNA) where: Base-Base interactions energy: -15.834 where: short stacking energy: -15.834 Base-Backbone interact. energy: -0.001 local terms energy: -30.525834 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -4.115 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: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -47.424129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.424129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.424129 (E_RNA) where: Base-Base interactions energy: -17.356 where: short stacking energy: -16.918 Base-Backbone interact. energy: -0.065 local terms energy: -30.002582 where: bonds (distance) C4'-P energy: -4.924 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -4.654 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: 3, replica: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -43.170264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.170264 (E_RNA) where: Base-Base interactions energy: -14.391 where: short stacking energy: -11.637 Base-Backbone interact. energy: -0.089 local terms energy: -28.689962 where: bonds (distance) C4'-P energy: -4.219 bonds (distance) P-C4' energy: -7.682 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -4.940 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: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -37.232495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.232495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.232495 (E_RNA) where: Base-Base interactions energy: -9.004 where: short stacking energy: -7.385 Base-Backbone interact. energy: -0.961 local terms energy: -27.267305 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -3.834 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: 5, replica: 8 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -37.643097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.643097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.643097 (E_RNA) where: Base-Base interactions energy: -8.634 where: short stacking energy: -8.634 Base-Backbone interact. energy: -0.000 local terms energy: -29.008754 where: bonds (distance) C4'-P energy: -6.251 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -34.226015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.226015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.226015 (E_RNA) where: Base-Base interactions energy: -9.213 where: short stacking energy: -9.213 Base-Backbone interact. energy: -0.000 local terms energy: -25.012642 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.637 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: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -35.579736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.579736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.579736 (E_RNA) where: Base-Base interactions energy: -10.738 where: short stacking energy: -10.738 Base-Backbone interact. energy: -0.204 local terms energy: -24.637570 where: bonds (distance) C4'-P energy: -5.942 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -3.271 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: 8, replica: 10 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -30.910705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.910705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.910705 (E_RNA) where: Base-Base interactions energy: -8.146 where: short stacking energy: -8.146 Base-Backbone interact. energy: -0.000 local terms energy: -22.764700 where: bonds (distance) C4'-P energy: -5.076 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -7.751 flat angles P-C4'-P energy: -1.701 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: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -33.216063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.216063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.216063 (E_RNA) where: Base-Base interactions energy: -12.410 where: short stacking energy: -12.410 Base-Backbone interact. energy: -0.000 local terms energy: -20.806112 where: bonds (distance) C4'-P energy: -2.595 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -29.997178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.997178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.997178 (E_RNA) where: Base-Base interactions energy: -4.374 where: short stacking energy: -1.010 Base-Backbone interact. energy: 0.431 local terms energy: -26.054404 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -6.936 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -0.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -47.125722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.125722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.125722 (E_RNA) where: Base-Base interactions energy: -17.531 where: short stacking energy: -17.531 Base-Backbone interact. energy: -0.001 local terms energy: -29.593017 where: bonds (distance) C4'-P energy: -6.335 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -5.163 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: 2, replica: 2 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -44.523226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.523226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.523226 (E_RNA) where: Base-Base interactions energy: -12.583 where: short stacking energy: -12.583 Base-Backbone interact. energy: -0.000 local terms energy: -31.939391 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -5.585 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: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -37.606306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.606306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.606306 (E_RNA) where: Base-Base interactions energy: -10.616 where: short stacking energy: -10.616 Base-Backbone interact. energy: -0.029 local terms energy: -26.961044 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -5.564 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -0.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -39.478407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.478407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.478407 (E_RNA) where: Base-Base interactions energy: -14.355 where: short stacking energy: -14.355 Base-Backbone interact. energy: -0.007 local terms energy: -25.115730 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -1.560 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -36.279586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.279586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.279586 (E_RNA) where: Base-Base interactions energy: -7.027 where: short stacking energy: -7.027 Base-Backbone interact. energy: -0.118 local terms energy: -29.134696 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -35.882029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.882029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.882029 (E_RNA) where: Base-Base interactions energy: -5.890 where: short stacking energy: -5.890 Base-Backbone interact. energy: -0.000 local terms energy: -29.992487 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -36.864800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.864800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.864800 (E_RNA) where: Base-Base interactions energy: -10.474 where: short stacking energy: -10.474 Base-Backbone interact. energy: -0.000 local terms energy: -26.390826 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.442 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -4.553 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: 8, replica: 6 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -32.231871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.231871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.231871 (E_RNA) where: Base-Base interactions energy: -4.743 where: short stacking energy: -4.743 Base-Backbone interact. energy: -0.020 local terms energy: -27.468576 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -32.745046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.745046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.745046 (E_RNA) where: Base-Base interactions energy: -6.346 where: short stacking energy: -6.346 Base-Backbone interact. energy: -0.001 local terms energy: -26.398735 where: bonds (distance) C4'-P energy: -7.440 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -6.959 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: 10, replica: 5 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -34.391018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.391018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.391018 (E_RNA) where: Base-Base interactions energy: -8.972 where: short stacking energy: -9.572 Base-Backbone interact. energy: -0.026 local terms energy: -25.392566 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -5.123 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: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -55.533924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.533924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.533924 (E_RNA) where: Base-Base interactions energy: -22.759 where: short stacking energy: -22.759 Base-Backbone interact. energy: -0.053 local terms energy: -32.722717 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -46.062974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.062974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.062974 (E_RNA) where: Base-Base interactions energy: -14.845 where: short stacking energy: -14.845 Base-Backbone interact. energy: -0.001 local terms energy: -31.217163 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -5.359 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: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -46.147663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.147663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.147663 (E_RNA) where: Base-Base interactions energy: -14.652 where: short stacking energy: -14.652 Base-Backbone interact. energy: -0.000 local terms energy: -31.495441 where: bonds (distance) C4'-P energy: -7.672 bonds (distance) P-C4' energy: -5.490 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -5.464 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: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -41.087786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.087786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.087786 (E_RNA) where: Base-Base interactions energy: -13.501 where: short stacking energy: -13.501 Base-Backbone interact. energy: -0.004 local terms energy: -27.582751 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -8.186 flat angles P-C4'-P energy: -4.815 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: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -40.418343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.418343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.418343 (E_RNA) where: Base-Base interactions energy: -9.611 where: short stacking energy: -9.611 Base-Backbone interact. energy: -0.000 local terms energy: -30.807744 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -35.909247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.909247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.909247 (E_RNA) where: Base-Base interactions energy: -8.587 where: short stacking energy: -8.745 Base-Backbone interact. energy: -0.103 local terms energy: -27.218977 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -33.454227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.454227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.454227 (E_RNA) where: Base-Base interactions energy: -6.811 where: short stacking energy: -7.711 Base-Backbone interact. energy: -0.173 local terms energy: -26.470176 where: bonds (distance) C4'-P energy: -7.158 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -31.357218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.357218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.357218 (E_RNA) where: Base-Base interactions energy: -7.086 where: short stacking energy: -7.086 Base-Backbone interact. energy: -0.026 local terms energy: -24.245916 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -2.089 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: 9, replica: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -33.163389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.163389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.163389 (E_RNA) where: Base-Base interactions energy: -10.489 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.256 local terms energy: -22.418247 where: bonds (distance) C4'-P energy: -6.546 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -0.747 tors. eta vs tors. theta energy: -4.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -29.759766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.759766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.759766 (E_RNA) where: Base-Base interactions energy: -5.352 where: short stacking energy: -5.352 Base-Backbone interact. energy: -0.119 local terms energy: -24.288769 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: 1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -42.926283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.926283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.926283 (E_RNA) where: Base-Base interactions energy: -13.934 where: short stacking energy: -13.934 Base-Backbone interact. energy: -0.004 local terms energy: -28.988070 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -41.767673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.767673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.767673 (E_RNA) where: Base-Base interactions energy: -11.796 where: short stacking energy: -11.796 Base-Backbone interact. energy: -0.094 local terms energy: -29.877798 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -42.103383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.103383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.103383 (E_RNA) where: Base-Base interactions energy: -13.417 where: short stacking energy: -13.417 Base-Backbone interact. energy: -0.160 local terms energy: -28.526006 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -40.636122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.636122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.636122 (E_RNA) where: Base-Base interactions energy: -14.402 where: short stacking energy: -14.402 Base-Backbone interact. energy: -0.005 local terms energy: -26.228374 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -7.678 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -3.170 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: 5, replica: 10 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -34.756600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.756600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.756600 (E_RNA) where: Base-Base interactions energy: -3.359 where: short stacking energy: -3.359 Base-Backbone interact. energy: -0.069 local terms energy: -31.328963 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -31.176004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.176004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.176004 (E_RNA) where: Base-Base interactions energy: -4.122 where: short stacking energy: -4.122 Base-Backbone interact. energy: -0.004 local terms energy: -27.050282 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: 0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -38.114395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.114395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.114395 (E_RNA) where: Base-Base interactions energy: -10.262 where: short stacking energy: -10.262 Base-Backbone interact. energy: -0.071 local terms energy: -27.782349 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -36.069722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.069722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.069722 (E_RNA) where: Base-Base interactions energy: -10.371 where: short stacking energy: -10.371 Base-Backbone interact. energy: -0.000 local terms energy: -25.698228 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.733 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: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -32.814047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.814047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.814047 (E_RNA) where: Base-Base interactions energy: -8.925 where: short stacking energy: -8.925 Base-Backbone interact. energy: -0.010 local terms energy: -23.878678 where: bonds (distance) C4'-P energy: -3.971 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -30.811887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.811887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.811887 (E_RNA) where: Base-Base interactions energy: -7.343 where: short stacking energy: -7.343 Base-Backbone interact. energy: -0.239 local terms energy: -23.229687 where: bonds (distance) C4'-P energy: -5.797 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -5.258 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: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -43.399525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.399525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.399525 (E_RNA) where: Base-Base interactions energy: -16.529 where: short stacking energy: -16.529 Base-Backbone interact. energy: -0.036 local terms energy: -26.834789 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -6.871 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -45.215657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.215657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.215657 (E_RNA) where: Base-Base interactions energy: -13.651 where: short stacking energy: -13.651 Base-Backbone interact. energy: -0.123 local terms energy: -31.441117 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -36.829970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.829970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.829970 (E_RNA) where: Base-Base interactions energy: -7.760 where: short stacking energy: -7.760 Base-Backbone interact. energy: -0.014 local terms energy: -29.056153 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -1.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -39.656111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.656111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.656111 (E_RNA) where: Base-Base interactions energy: -10.134 where: short stacking energy: -10.134 Base-Backbone interact. energy: -0.099 local terms energy: -29.422918 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.895 flat angles P-C4'-P energy: -5.836 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: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -36.799750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.799750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.799750 (E_RNA) where: Base-Base interactions energy: -10.528 where: short stacking energy: -10.110 Base-Backbone interact. energy: -0.022 local terms energy: -26.249725 where: bonds (distance) C4'-P energy: -6.290 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -3.563 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: 6, replica: 9 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -34.466705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.466705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.466705 (E_RNA) where: Base-Base interactions energy: -6.878 where: short stacking energy: -6.878 Base-Backbone interact. energy: -0.076 local terms energy: -27.512120 where: bonds (distance) C4'-P energy: -6.778 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -44.529904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.529904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.529904 (E_RNA) where: Base-Base interactions energy: -10.831 where: short stacking energy: -10.831 Base-Backbone interact. energy: -0.040 local terms energy: -33.659200 where: bonds (distance) C4'-P energy: -6.049 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -6.317 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: 8, replica: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -33.350668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.350668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.350668 (E_RNA) where: Base-Base interactions energy: -10.907 where: short stacking energy: -7.090 Base-Backbone interact. energy: -0.179 local terms energy: -22.264600 where: bonds (distance) C4'-P energy: -5.764 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -3.077 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: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -32.726102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.726102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.726102 (E_RNA) where: Base-Base interactions energy: -8.193 where: short stacking energy: -5.093 Base-Backbone interact. energy: -0.022 local terms energy: -24.510715 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -3.340 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: 10, replica: 5 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -31.315295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.315295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.315295 (E_RNA) where: Base-Base interactions energy: -7.759 where: short stacking energy: -7.759 Base-Backbone interact. energy: -0.075 local terms energy: -23.481387 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -4.065 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: 1, replica: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -42.492511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.492511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.492511 (E_RNA) where: Base-Base interactions energy: -12.482 where: short stacking energy: -12.482 Base-Backbone interact. energy: -0.001 local terms energy: -30.008811 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -4.534 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: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -39.554408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.554408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.554408 (E_RNA) where: Base-Base interactions energy: -8.679 where: short stacking energy: -6.367 Base-Backbone interact. energy: -0.037 local terms energy: -30.838378 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -7.668 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.491 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: 10 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -38.423558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.423558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.423558 (E_RNA) where: Base-Base interactions energy: -11.053 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.054 local terms energy: -27.316250 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -40.913823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.913823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.913823 (E_RNA) where: Base-Base interactions energy: -12.482 where: short stacking energy: -12.482 Base-Backbone interact. energy: -0.180 local terms energy: -28.251826 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -35.578518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.578518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.578518 (E_RNA) where: Base-Base interactions energy: -6.837 where: short stacking energy: -6.837 Base-Backbone interact. energy: -0.074 local terms energy: -28.667982 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -1.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -33.586353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.586353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.586353 (E_RNA) where: Base-Base interactions energy: -6.683 where: short stacking energy: -6.683 Base-Backbone interact. energy: -0.052 local terms energy: -26.851572 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -5.757 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: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -32.664394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.664394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.664394 (E_RNA) where: Base-Base interactions energy: -9.804 where: short stacking energy: -9.804 Base-Backbone interact. energy: -0.026 local terms energy: -22.834552 where: bonds (distance) C4'-P energy: -5.851 bonds (distance) P-C4' energy: -5.138 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -5.266 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: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -37.584400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.584400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.584400 (E_RNA) where: Base-Base interactions energy: -13.510 where: short stacking energy: -13.510 Base-Backbone interact. energy: -0.151 local terms energy: -23.923599 where: bonds (distance) C4'-P energy: -3.619 bonds (distance) P-C4' energy: -7.224 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -3.938 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: 380 Temperature: 1.300000 Total energy: -34.010618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.010618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.010618 (E_RNA) where: Base-Base interactions energy: -10.736 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.006 local terms energy: -23.268614 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: 0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -29.649489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.649489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.649489 (E_RNA) where: Base-Base interactions energy: -6.702 where: short stacking energy: -6.191 Base-Backbone interact. energy: -0.034 local terms energy: -22.912706 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: 1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -50.823410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.823410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.823410 (E_RNA) where: Base-Base interactions energy: -17.806 where: short stacking energy: -17.806 Base-Backbone interact. energy: -0.050 local terms energy: -32.967802 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -45.296765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.296765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.296765 (E_RNA) where: Base-Base interactions energy: -16.488 where: short stacking energy: -16.488 Base-Backbone interact. energy: -0.110 local terms energy: -28.698491 where: bonds (distance) C4'-P energy: -4.444 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -5.000 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: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -44.369402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.369402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.369402 (E_RNA) where: Base-Base interactions energy: -13.911 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.000 local terms energy: -30.458198 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.530 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -4.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -45.506250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.506250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.506250 (E_RNA) where: Base-Base interactions energy: -16.232 where: short stacking energy: -16.232 Base-Backbone interact. energy: -0.000 local terms energy: -29.273964 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -6.048 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: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -35.307001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.307001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.307001 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.000 local terms energy: -22.689508 where: bonds (distance) C4'-P energy: -5.416 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -4.199 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: 6, replica: 6 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -31.667716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.667716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.667716 (E_RNA) where: Base-Base interactions energy: -7.977 where: short stacking energy: -7.977 Base-Backbone interact. energy: -0.042 local terms energy: -23.648285 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -6.114 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: 7, replica: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -35.236329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.236329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.236329 (E_RNA) where: Base-Base interactions energy: -7.456 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.033 local terms energy: -27.746706 where: bonds (distance) C4'-P energy: -6.112 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -5.209 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: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -35.967861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.967861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.967861 (E_RNA) where: Base-Base interactions energy: -13.995 where: short stacking energy: -13.995 Base-Backbone interact. energy: -0.000 local terms energy: -21.972690 where: bonds (distance) C4'-P energy: -2.559 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -3.687 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: 9, replica: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -31.320256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.320256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.320256 (E_RNA) where: Base-Base interactions energy: -6.816 where: short stacking energy: -6.816 Base-Backbone interact. energy: -0.083 local terms energy: -24.420575 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -6.659 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -34.932164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.932164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.932164 (E_RNA) where: Base-Base interactions energy: -9.024 where: short stacking energy: -9.024 Base-Backbone interact. energy: -0.017 local terms energy: -25.890722 where: bonds (distance) C4'-P energy: -7.734 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -2.065 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -48.803469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.803469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.803469 (E_RNA) where: Base-Base interactions energy: -18.426 where: short stacking energy: -18.426 Base-Backbone interact. energy: -0.002 local terms energy: -30.375346 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -45.580952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.580952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.580952 (E_RNA) where: Base-Base interactions energy: -13.581 where: short stacking energy: -13.581 Base-Backbone interact. energy: -0.002 local terms energy: -31.997708 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -41.318717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.318717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.318717 (E_RNA) where: Base-Base interactions energy: -12.524 where: short stacking energy: -12.524 Base-Backbone interact. energy: -0.026 local terms energy: -28.769029 where: bonds (distance) C4'-P energy: -5.345 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -4.790 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: 4, replica: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -39.330708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.330708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.330708 (E_RNA) where: Base-Base interactions energy: -10.959 where: short stacking energy: -10.959 Base-Backbone interact. energy: -0.000 local terms energy: -28.371562 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -3.960 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: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -34.667519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.667519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.667519 (E_RNA) where: Base-Base interactions energy: -6.011 where: short stacking energy: -6.011 Base-Backbone interact. energy: -0.405 local terms energy: -28.252137 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -4.209 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: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -35.966152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.966152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.966152 (E_RNA) where: Base-Base interactions energy: -7.952 where: short stacking energy: -7.952 Base-Backbone interact. energy: -0.000 local terms energy: -28.013711 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -4.659 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: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -39.265833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.265833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.265833 (E_RNA) where: Base-Base interactions energy: -13.149 where: short stacking energy: -13.149 Base-Backbone interact. energy: -0.010 local terms energy: -26.106063 where: bonds (distance) C4'-P energy: -4.327 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -34.157869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.157869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.157869 (E_RNA) where: Base-Base interactions energy: -3.547 where: short stacking energy: -3.547 Base-Backbone interact. energy: -0.000 local terms energy: -30.610419 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -32.373852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.373852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.373852 (E_RNA) where: Base-Base interactions energy: -6.943 where: short stacking energy: -6.943 Base-Backbone interact. energy: -0.112 local terms energy: -25.318137 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -4.464 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: 1 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -32.291908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.291908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.291908 (E_RNA) where: Base-Base interactions energy: -7.494 where: short stacking energy: -5.935 Base-Backbone interact. energy: -0.263 local terms energy: -24.534814 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.156 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -41.652764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.652764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.652764 (E_RNA) where: Base-Base interactions energy: -13.040 where: short stacking energy: -13.040 Base-Backbone interact. energy: -0.083 local terms energy: -28.529553 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -4.138 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: 2, replica: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -42.635722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.635722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.635722 (E_RNA) where: Base-Base interactions energy: -16.515 where: short stacking energy: -16.515 Base-Backbone interact. energy: -0.038 local terms energy: -26.082618 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -45.811771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.811771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.811771 (E_RNA) where: Base-Base interactions energy: -14.998 where: short stacking energy: -14.998 Base-Backbone interact. energy: -0.001 local terms energy: -30.813051 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -5.679 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: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -41.267919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.267919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.267919 (E_RNA) where: Base-Base interactions energy: -13.230 where: short stacking energy: -13.230 Base-Backbone interact. energy: -0.012 local terms energy: -28.026170 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -5.361 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: 5, replica: 10 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -37.401407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.401407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.401407 (E_RNA) where: Base-Base interactions energy: -9.929 where: short stacking energy: -9.929 Base-Backbone interact. energy: -0.112 local terms energy: -27.360166 where: bonds (distance) C4'-P energy: -5.275 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -4.399 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: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -37.396344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.396344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.396344 (E_RNA) where: Base-Base interactions energy: -9.519 where: short stacking energy: -9.519 Base-Backbone interact. energy: -0.002 local terms energy: -27.875641 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -4.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -34.965142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.965142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.965142 (E_RNA) where: Base-Base interactions energy: -7.672 where: short stacking energy: -7.672 Base-Backbone interact. energy: -0.016 local terms energy: -27.277421 where: bonds (distance) C4'-P energy: -5.524 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -34.643645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.643645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.643645 (E_RNA) where: Base-Base interactions energy: -9.652 where: short stacking energy: -9.652 Base-Backbone interact. energy: -0.091 local terms energy: -24.900526 where: bonds (distance) C4'-P energy: -6.819 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -5.099 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: 9, replica: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -31.954697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.954697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.954697 (E_RNA) where: Base-Base interactions energy: -7.344 where: short stacking energy: -6.976 Base-Backbone interact. energy: -0.842 local terms energy: -23.768947 where: bonds (distance) C4'-P energy: -6.243 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -4.245 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: 10, replica: 1 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -28.687900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.687900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.687900 (E_RNA) where: Base-Base interactions energy: -5.175 where: short stacking energy: -5.175 Base-Backbone interact. energy: -0.114 local terms energy: -23.399432 where: bonds (distance) C4'-P energy: -5.846 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -5.425 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: 1, replica: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -41.560670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.560670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.560670 (E_RNA) where: Base-Base interactions energy: -15.185 where: short stacking energy: -13.343 Base-Backbone interact. energy: 0.016 local terms energy: -26.391821 where: bonds (distance) C4'-P energy: -6.389 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -2.382 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -44.292860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.292860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.292860 (E_RNA) where: Base-Base interactions energy: -15.538 where: short stacking energy: -15.581 Base-Backbone interact. energy: -0.015 local terms energy: -28.740115 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -40.250196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.250196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.250196 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -10.743 Base-Backbone interact. energy: 0.249 local terms energy: -29.756226 where: bonds (distance) C4'-P energy: -5.234 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -3.066 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: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -35.909262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.909262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.909262 (E_RNA) where: Base-Base interactions energy: -12.685 where: short stacking energy: -12.685 Base-Backbone interact. energy: -0.002 local terms energy: -23.221858 where: bonds (distance) C4'-P energy: -6.745 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -44.361161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.361161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.361161 (E_RNA) where: Base-Base interactions energy: -15.086 where: short stacking energy: -15.086 Base-Backbone interact. energy: -0.055 local terms energy: -29.220558 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -5.478 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: 6, replica: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -35.037711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.037711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.037711 (E_RNA) where: Base-Base interactions energy: -5.683 where: short stacking energy: -5.683 Base-Backbone interact. energy: -0.051 local terms energy: -29.304142 where: bonds (distance) C4'-P energy: -6.145 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -31.996565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.996565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.996565 (E_RNA) where: Base-Base interactions energy: -7.149 where: short stacking energy: -7.149 Base-Backbone interact. energy: -0.139 local terms energy: -24.708513 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -3.927 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: 0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -35.130989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.130989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.130989 (E_RNA) where: Base-Base interactions energy: -7.443 where: short stacking energy: -7.443 Base-Backbone interact. energy: -0.000 local terms energy: -27.687887 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -33.026934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.026934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.026934 (E_RNA) where: Base-Base interactions energy: -9.429 where: short stacking energy: -9.429 Base-Backbone interact. energy: -0.000 local terms energy: -23.597140 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -1.772 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: 10, replica: 2 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -29.510827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.510827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.510827 (E_RNA) where: Base-Base interactions energy: -3.813 where: short stacking energy: -3.813 Base-Backbone interact. energy: -0.381 local terms energy: -25.315885 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -4.873 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -5.228 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: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -48.196277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.196277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.196277 (E_RNA) where: Base-Base interactions energy: -13.566 where: short stacking energy: -13.566 Base-Backbone interact. energy: -0.014 local terms energy: -34.616341 where: bonds (distance) C4'-P energy: -6.119 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -8.694 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -6.126 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: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -44.875632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.875632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.875632 (E_RNA) where: Base-Base interactions energy: -14.564 where: short stacking energy: -9.189 Base-Backbone interact. energy: -0.034 local terms energy: -30.277504 where: bonds (distance) C4'-P energy: -5.747 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -6.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -44.954481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.954481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.954481 (E_RNA) where: Base-Base interactions energy: -13.214 where: short stacking energy: -13.214 Base-Backbone interact. energy: -0.007 local terms energy: -31.734330 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -5.802 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: 4, replica: 5 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -35.887743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.887743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.887743 (E_RNA) where: Base-Base interactions energy: -7.746 where: short stacking energy: -7.746 Base-Backbone interact. energy: -0.005 local terms energy: -28.137328 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -5.750 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: 5, replica: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -33.715665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.715665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.715665 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.099 local terms energy: -24.464052 where: bonds (distance) C4'-P energy: -4.886 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -5.355 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: 6, replica: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -36.216831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.216831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.216831 (E_RNA) where: Base-Base interactions energy: -8.979 where: short stacking energy: -8.979 Base-Backbone interact. energy: -0.158 local terms energy: -27.079446 where: bonds (distance) C4'-P energy: -5.747 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -32.091043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.091043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.091043 (E_RNA) where: Base-Base interactions energy: -7.282 where: short stacking energy: -4.269 Base-Backbone interact. energy: -0.160 local terms energy: -24.649746 where: bonds (distance) C4'-P energy: -6.820 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -31.190390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.190390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.190390 (E_RNA) where: Base-Base interactions energy: -6.204 where: short stacking energy: -6.204 Base-Backbone interact. energy: 0.935 local terms energy: -25.920742 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -31.454766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.454766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.454766 (E_RNA) where: Base-Base interactions energy: -5.298 where: short stacking energy: -5.298 Base-Backbone interact. energy: -0.003 local terms energy: -26.153618 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -4.670 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: 10, replica: 2 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -29.268751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.268751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.268751 (E_RNA) where: Base-Base interactions energy: -3.962 where: short stacking energy: -3.962 Base-Backbone interact. energy: -0.003 local terms energy: -25.303570 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -0.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -39.870628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.870628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.870628 (E_RNA) where: Base-Base interactions energy: -9.751 where: short stacking energy: -9.751 Base-Backbone interact. energy: -0.010 local terms energy: -30.109741 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -5.835 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: 4 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -39.401184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.401184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.401184 (E_RNA) where: Base-Base interactions energy: -10.109 where: short stacking energy: -10.109 Base-Backbone interact. energy: -1.091 local terms energy: -28.200931 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -5.628 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: 3, replica: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -37.726287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.726287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.726287 (E_RNA) where: Base-Base interactions energy: -11.216 where: short stacking energy: -11.216 Base-Backbone interact. energy: -0.001 local terms energy: -26.509201 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -4.868 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: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -43.685666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.685666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.685666 (E_RNA) where: Base-Base interactions energy: -12.891 where: short stacking energy: -12.891 Base-Backbone interact. energy: -0.052 local terms energy: -30.742261 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -34.708954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.708954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.708954 (E_RNA) where: Base-Base interactions energy: -12.407 where: short stacking energy: -10.992 Base-Backbone interact. energy: -0.032 local terms energy: -22.270679 where: bonds (distance) C4'-P energy: -3.644 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: 0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -34.900598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.900598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.900598 (E_RNA) where: Base-Base interactions energy: -13.785 where: short stacking energy: -13.785 Base-Backbone interact. energy: -0.065 local terms energy: -21.050815 where: bonds (distance) C4'-P energy: -6.207 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -2.332 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -34.416196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.416196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.416196 (E_RNA) where: Base-Base interactions energy: -10.127 where: short stacking energy: -10.127 Base-Backbone interact. energy: -0.028 local terms energy: -24.260765 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -1.893 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: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -35.303304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.303304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.303304 (E_RNA) where: Base-Base interactions energy: -10.458 where: short stacking energy: -10.458 Base-Backbone interact. energy: -0.000 local terms energy: -24.845393 where: bonds (distance) C4'-P energy: -6.174 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -4.751 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: 9, replica: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -29.840722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.840722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.840722 (E_RNA) where: Base-Base interactions energy: -6.066 where: short stacking energy: -4.616 Base-Backbone interact. energy: -0.845 local terms energy: -22.929582 where: bonds (distance) C4'-P energy: -7.113 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: 0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -31.908031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.908031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.908031 (E_RNA) where: Base-Base interactions energy: -10.138 where: short stacking energy: -10.138 Base-Backbone interact. energy: -0.005 local terms energy: -21.764999 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -4.408 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -2.674 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: 1, replica: 9 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -44.428609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.428609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.428609 (E_RNA) where: Base-Base interactions energy: -14.773 where: short stacking energy: -14.773 Base-Backbone interact. energy: -0.007 local terms energy: -29.648525 where: bonds (distance) C4'-P energy: -6.807 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -40.581661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.581661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.581661 (E_RNA) where: Base-Base interactions energy: -9.579 where: short stacking energy: -9.579 Base-Backbone interact. energy: -0.092 local terms energy: -30.910661 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.969 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: 3, replica: 4 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -45.561461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.561461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.561461 (E_RNA) where: Base-Base interactions energy: -16.050 where: short stacking energy: -16.050 Base-Backbone interact. energy: -0.001 local terms energy: -29.511199 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -5.069 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: 4, replica: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -42.071868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.071868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.071868 (E_RNA) where: Base-Base interactions energy: -17.695 where: short stacking energy: -9.890 Base-Backbone interact. energy: -0.052 local terms energy: -24.324923 where: bonds (distance) C4'-P energy: -5.788 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -32.399276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.399276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.399276 (E_RNA) where: Base-Base interactions energy: -6.340 where: short stacking energy: -6.340 Base-Backbone interact. energy: -0.011 local terms energy: -26.048205 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -6.110 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: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -33.934673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.934673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.934673 (E_RNA) where: Base-Base interactions energy: -8.559 where: short stacking energy: -8.559 Base-Backbone interact. energy: -0.087 local terms energy: -25.288890 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -3.058 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: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -38.685206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.685206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.685206 (E_RNA) where: Base-Base interactions energy: -13.343 where: short stacking energy: -13.343 Base-Backbone interact. energy: -0.237 local terms energy: -25.105708 where: bonds (distance) C4'-P energy: -4.522 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -5.037 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: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -31.645163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.645163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.645163 (E_RNA) where: Base-Base interactions energy: -7.162 where: short stacking energy: -7.162 Base-Backbone interact. energy: -0.007 local terms energy: -24.476070 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.217 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: 0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -36.229680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.229680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.229680 (E_RNA) where: Base-Base interactions energy: -12.938 where: short stacking energy: -12.938 Base-Backbone interact. energy: -0.001 local terms energy: -23.290310 where: bonds (distance) C4'-P energy: -3.846 bonds (distance) P-C4' energy: -3.831 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -32.299184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.299184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.299184 (E_RNA) where: Base-Base interactions energy: -3.955 where: short stacking energy: -3.955 Base-Backbone interact. energy: -0.360 local terms energy: -27.984098 where: bonds (distance) C4'-P energy: -6.538 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -6.140 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: 1, replica: 9 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -53.683387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.683387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.683387 (E_RNA) where: Base-Base interactions energy: -21.246 where: short stacking energy: -21.246 Base-Backbone interact. energy: -0.000 local terms energy: -32.437394 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -7.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -39.442033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.442033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.442033 (E_RNA) where: Base-Base interactions energy: -8.779 where: short stacking energy: -8.779 Base-Backbone interact. energy: -0.719 local terms energy: -29.943724 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: -5.958 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: 3, replica: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -39.246800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.246800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.246800 (E_RNA) where: Base-Base interactions energy: -10.585 where: short stacking energy: -10.585 Base-Backbone interact. energy: -0.004 local terms energy: -28.657733 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -5.391 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: 4, replica: 4 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -43.374356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.374356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.374356 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.000 local terms energy: -31.765517 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -6.009 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: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -45.488206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.488206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.488206 (E_RNA) where: Base-Base interactions energy: -16.747 where: short stacking energy: -16.747 Base-Backbone interact. energy: -0.000 local terms energy: -28.741060 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -33.798492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.798492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.798492 (E_RNA) where: Base-Base interactions energy: -7.115 where: short stacking energy: -7.115 Base-Backbone interact. energy: -0.149 local terms energy: -26.534665 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -0.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -36.284476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.284476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.284476 (E_RNA) where: Base-Base interactions energy: -9.765 where: short stacking energy: -9.765 Base-Backbone interact. energy: 0.009 local terms energy: -26.528115 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -5.378 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: 8, replica: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -35.164818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.164818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.164818 (E_RNA) where: Base-Base interactions energy: -8.975 where: short stacking energy: -7.334 Base-Backbone interact. energy: -0.102 local terms energy: -26.088264 where: bonds (distance) C4'-P energy: -7.440 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -32.369052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.369052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.369052 (E_RNA) where: Base-Base interactions energy: -5.536 where: short stacking energy: -5.536 Base-Backbone interact. energy: -0.110 local terms energy: -26.722344 where: bonds (distance) C4'-P energy: -6.053 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -4.962 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: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -32.561077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.561077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.561077 (E_RNA) where: Base-Base interactions energy: -9.994 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.105 local terms energy: -22.461553 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: 0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -51.504759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.504759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.504759 (E_RNA) where: Base-Base interactions energy: -16.054 where: short stacking energy: -16.054 Base-Backbone interact. energy: -0.095 local terms energy: -35.355048 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -6.385 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: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -42.912477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.912477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.912477 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -11.368 Base-Backbone interact. energy: -0.186 local terms energy: -31.358633 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -42.819098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.819098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.819098 (E_RNA) where: Base-Base interactions energy: -15.880 where: short stacking energy: -14.140 Base-Backbone interact. energy: -0.015 local terms energy: -26.924281 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -2.658 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: 4, replica: 4 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -44.478303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.478303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.478303 (E_RNA) where: Base-Base interactions energy: -13.253 where: short stacking energy: -13.253 Base-Backbone interact. energy: -0.000 local terms energy: -31.225450 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -5.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -38.730863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.730863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.730863 (E_RNA) where: Base-Base interactions energy: -10.639 where: short stacking energy: -10.639 Base-Backbone interact. energy: -0.002 local terms energy: -28.090628 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -3.031 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: 6, replica: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -40.105715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.105715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.105715 (E_RNA) where: Base-Base interactions energy: -12.669 where: short stacking energy: -12.669 Base-Backbone interact. energy: -0.000 local terms energy: -27.436472 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -4.647 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: 7, replica: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -33.058456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.058456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.058456 (E_RNA) where: Base-Base interactions energy: -4.735 where: short stacking energy: -4.735 Base-Backbone interact. energy: -0.095 local terms energy: -28.228767 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: 0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -34.896167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.896167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.896167 (E_RNA) where: Base-Base interactions energy: -7.831 where: short stacking energy: -7.831 Base-Backbone interact. energy: -0.019 local terms energy: -27.045850 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -4.277 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: 9, replica: 6 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -35.921384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.921384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.921384 (E_RNA) where: Base-Base interactions energy: -11.173 where: short stacking energy: -11.173 Base-Backbone interact. energy: -0.020 local terms energy: -24.728534 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -3.382 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: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -32.303540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.303540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.303540 (E_RNA) where: Base-Base interactions energy: -6.372 where: short stacking energy: -6.372 Base-Backbone interact. energy: -0.101 local terms energy: -25.831178 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: 1.283 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: 1, replica: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -43.741378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.741378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.741378 (E_RNA) where: Base-Base interactions energy: -15.201 where: short stacking energy: -12.455 Base-Backbone interact. energy: -0.667 local terms energy: -27.873376 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -3.165 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: 2, replica: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -50.648236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.648236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.648236 (E_RNA) where: Base-Base interactions energy: -14.520 where: short stacking energy: -14.520 Base-Backbone interact. energy: -0.927 local terms energy: -35.201132 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -6.811 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: 3, replica: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -45.580173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.580173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.580173 (E_RNA) where: Base-Base interactions energy: -13.444 where: short stacking energy: -13.444 Base-Backbone interact. energy: -0.000 local terms energy: -32.135765 where: bonds (distance) C4'-P energy: -6.269 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -5.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -51.918186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.918186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.918186 (E_RNA) where: Base-Base interactions energy: -16.191 where: short stacking energy: -16.191 Base-Backbone interact. energy: -0.002 local terms energy: -35.725367 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -7.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -40.990242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.990242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.990242 (E_RNA) where: Base-Base interactions energy: -10.533 where: short stacking energy: -10.533 Base-Backbone interact. energy: -0.093 local terms energy: -30.363937 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -5.111 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: 6, replica: 10 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -36.911000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.911000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.911000 (E_RNA) where: Base-Base interactions energy: -8.281 where: short stacking energy: -7.419 Base-Backbone interact. energy: -0.020 local terms energy: -28.610721 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -33.467586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.467586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.467586 (E_RNA) where: Base-Base interactions energy: -6.264 where: short stacking energy: -6.264 Base-Backbone interact. energy: -0.593 local terms energy: -26.610730 where: bonds (distance) C4'-P energy: -6.153 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -4.656 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: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -29.358598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.358598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.358598 (E_RNA) where: Base-Base interactions energy: -5.993 where: short stacking energy: -5.993 Base-Backbone interact. energy: -0.207 local terms energy: -23.158684 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -6.258 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: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -31.526556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.526556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.526556 (E_RNA) where: Base-Base interactions energy: -8.746 where: short stacking energy: -8.746 Base-Backbone interact. energy: -0.036 local terms energy: -22.745064 where: bonds (distance) C4'-P energy: -4.124 bonds (distance) P-C4' energy: -5.113 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -34.780672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.780672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.780672 (E_RNA) where: Base-Base interactions energy: -10.525 where: short stacking energy: -10.525 Base-Backbone interact. energy: -0.000 local terms energy: -24.255475 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -1.321 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -48.735689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.735689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.735689 (E_RNA) where: Base-Base interactions energy: -16.461 where: short stacking energy: -16.461 Base-Backbone interact. energy: -0.003 local terms energy: -32.271272 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -7.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -44.838063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.838063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.838063 (E_RNA) where: Base-Base interactions energy: -12.452 where: short stacking energy: -12.452 Base-Backbone interact. energy: -0.049 local terms energy: -32.336900 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -4.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -45.834414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.834414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.834414 (E_RNA) where: Base-Base interactions energy: -14.585 where: short stacking energy: -14.585 Base-Backbone interact. energy: -0.001 local terms energy: -31.247976 where: bonds (distance) C4'-P energy: -4.957 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -7.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -41.964359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.964359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.964359 (E_RNA) where: Base-Base interactions energy: -9.814 where: short stacking energy: -9.814 Base-Backbone interact. energy: -0.142 local terms energy: -32.008169 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -4.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -33.740897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.740897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.740897 (E_RNA) where: Base-Base interactions energy: -3.536 where: short stacking energy: -3.536 Base-Backbone interact. energy: -0.221 local terms energy: -29.983815 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -5.046 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: 6, replica: 10 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -37.435038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.435038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.435038 (E_RNA) where: Base-Base interactions energy: -8.275 where: short stacking energy: -8.275 Base-Backbone interact. energy: -0.141 local terms energy: -29.018315 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -4.562 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: 7, replica: 7 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -31.544607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.544607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.544607 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -6.774 Base-Backbone interact. energy: -0.006 local terms energy: -23.905634 where: bonds (distance) C4'-P energy: -3.661 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -5.677 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: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -30.021346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.021346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.021346 (E_RNA) where: Base-Base interactions energy: -3.625 where: short stacking energy: -3.625 Base-Backbone interact. energy: -0.001 local terms energy: -26.394939 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -5.163 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: 9, replica: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -31.575315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.575315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.575315 (E_RNA) where: Base-Base interactions energy: -6.785 where: short stacking energy: -6.785 Base-Backbone interact. energy: -0.292 local terms energy: -24.498998 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -3.892 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: 10, replica: 6 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -30.110653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.110653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.110653 (E_RNA) where: Base-Base interactions energy: -10.104 where: short stacking energy: -10.104 Base-Backbone interact. energy: -0.387 local terms energy: -19.619595 where: bonds (distance) C4'-P energy: -3.881 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -2.780 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: 392 Temperature: 0.900000 Total energy: -42.330688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.330688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.330688 (E_RNA) where: Base-Base interactions energy: -14.306 where: short stacking energy: -14.306 Base-Backbone interact. energy: -0.000 local terms energy: -28.024291 where: bonds (distance) C4'-P energy: -5.009 bonds (distance) P-C4' energy: -6.887 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -3.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -49.853634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.853634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.853634 (E_RNA) where: Base-Base interactions energy: -22.338 where: short stacking energy: -22.338 Base-Backbone interact. energy: -0.025 local terms energy: -27.490394 where: bonds (distance) C4'-P energy: -6.219 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -3.399 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: 2 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -45.521460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.521460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.521460 (E_RNA) where: Base-Base interactions energy: -14.043 where: short stacking energy: -14.043 Base-Backbone interact. energy: -0.000 local terms energy: -31.478514 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -5.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -41.295824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.295824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.295824 (E_RNA) where: Base-Base interactions energy: -8.873 where: short stacking energy: -8.873 Base-Backbone interact. energy: -0.000 local terms energy: -32.422435 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -6.940 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: 10 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -42.386685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.386685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.386685 (E_RNA) where: Base-Base interactions energy: -14.103 where: short stacking energy: -14.103 Base-Backbone interact. energy: -0.001 local terms energy: -28.283083 where: bonds (distance) C4'-P energy: -5.552 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -4.294 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: 6, replica: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -35.139315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.139315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.139315 (E_RNA) where: Base-Base interactions energy: -7.542 where: short stacking energy: -7.542 Base-Backbone interact. energy: -0.107 local terms energy: -27.490066 where: bonds (distance) C4'-P energy: -6.517 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -2.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -32.531822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.531822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.531822 (E_RNA) where: Base-Base interactions energy: -4.819 where: short stacking energy: -4.819 Base-Backbone interact. energy: -0.646 local terms energy: -27.066854 where: bonds (distance) C4'-P energy: -7.106 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -2.767 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: 8, replica: 7 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -38.521744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.521744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.521744 (E_RNA) where: Base-Base interactions energy: -12.477 where: short stacking energy: -12.477 Base-Backbone interact. energy: -0.028 local terms energy: -26.017235 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -1.466 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: 9, replica: 6 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -31.104566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.104566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.104566 (E_RNA) where: Base-Base interactions energy: -5.991 where: short stacking energy: -5.991 Base-Backbone interact. energy: -0.094 local terms energy: -25.019382 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -39.102752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.102752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.102752 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.102 local terms energy: -29.109636 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -7.116 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -5.778 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: 1, replica: 9 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -43.299565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.299565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.299565 (E_RNA) where: Base-Base interactions energy: -14.015 where: short stacking energy: -12.266 Base-Backbone interact. energy: -0.103 local terms energy: -29.181196 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -3.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -49.207013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.207013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.207013 (E_RNA) where: Base-Base interactions energy: -16.421 where: short stacking energy: -16.421 Base-Backbone interact. energy: -0.004 local terms energy: -32.782272 where: bonds (distance) C4'-P energy: -5.445 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -6.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -44.392418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.392418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.392418 (E_RNA) where: Base-Base interactions energy: -13.814 where: short stacking energy: -13.814 Base-Backbone interact. energy: -0.078 local terms energy: -30.500129 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -38.798223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.798223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.798223 (E_RNA) where: Base-Base interactions energy: -10.517 where: short stacking energy: -10.517 Base-Backbone interact. energy: -0.004 local terms energy: -28.277605 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -35.947157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.947157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.947157 (E_RNA) where: Base-Base interactions energy: -12.280 where: short stacking energy: -12.280 Base-Backbone interact. energy: -0.001 local terms energy: -23.667011 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -0.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -30.406245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.406245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.406245 (E_RNA) where: Base-Base interactions energy: -6.912 where: short stacking energy: -6.912 Base-Backbone interact. energy: -0.019 local terms energy: -23.474882 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -0.166 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: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -38.818827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.818827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.818827 (E_RNA) where: Base-Base interactions energy: -10.163 where: short stacking energy: -10.163 Base-Backbone interact. energy: -0.159 local terms energy: -28.496357 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -5.012 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: 8, replica: 6 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -33.637556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.637556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.637556 (E_RNA) where: Base-Base interactions energy: -9.647 where: short stacking energy: -9.647 Base-Backbone interact. energy: -0.025 local terms energy: -23.965731 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -3.589 flat angles P-C4'-P energy: -3.903 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: 7 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -35.163452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.163452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.163452 (E_RNA) where: Base-Base interactions energy: -8.122 where: short stacking energy: -8.122 Base-Backbone interact. energy: 0.368 local terms energy: -27.409395 where: bonds (distance) C4'-P energy: -7.440 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -4.950 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: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -30.463778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.463778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.463778 (E_RNA) where: Base-Base interactions energy: -4.058 where: short stacking energy: -4.058 Base-Backbone interact. energy: -0.137 local terms energy: -26.269259 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -6.729 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: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -45.449604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.449604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.449604 (E_RNA) where: Base-Base interactions energy: -15.160 where: short stacking energy: -15.160 Base-Backbone interact. energy: -0.000 local terms energy: -30.289552 where: bonds (distance) C4'-P energy: -4.915 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -41.372701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.372701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.372701 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.162 local terms energy: -29.325725 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -3.926 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: 3, replica: 10 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -44.678486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.678486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.678486 (E_RNA) where: Base-Base interactions energy: -13.479 where: short stacking energy: -13.479 Base-Backbone interact. energy: -0.114 local terms energy: -31.086088 where: bonds (distance) C4'-P energy: -7.034 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -6.077 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: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -50.361583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.361583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.361583 (E_RNA) where: Base-Base interactions energy: -16.120 where: short stacking energy: -16.120 Base-Backbone interact. energy: -0.048 local terms energy: -34.193558 where: bonds (distance) C4'-P energy: -6.261 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -38.187344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.187344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.187344 (E_RNA) where: Base-Base interactions energy: -9.617 where: short stacking energy: -9.717 Base-Backbone interact. energy: -0.025 local terms energy: -28.544586 where: bonds (distance) C4'-P energy: -5.370 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -5.538 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: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -35.325780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.325780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.325780 (E_RNA) where: Base-Base interactions energy: -10.959 where: short stacking energy: -10.959 Base-Backbone interact. energy: -0.002 local terms energy: -24.365678 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -4.875 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -39.358446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.358446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.358446 (E_RNA) where: Base-Base interactions energy: -11.624 where: short stacking energy: -9.521 Base-Backbone interact. energy: -0.051 local terms energy: -27.683619 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -5.690 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -35.853643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.853643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.853643 (E_RNA) where: Base-Base interactions energy: -12.705 where: short stacking energy: -12.705 Base-Backbone interact. energy: -0.008 local terms energy: -23.140467 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -6.299 flat angles C4'-P-C4' energy: -3.752 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -39.840779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.840779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.840779 (E_RNA) where: Base-Base interactions energy: -13.590 where: short stacking energy: -13.648 Base-Backbone interact. energy: -0.004 local terms energy: -26.247381 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -5.673 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: 10, replica: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -35.013900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.013900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.013900 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -8.054 Base-Backbone interact. energy: -0.079 local terms energy: -26.881590 where: bonds (distance) C4'-P energy: -5.913 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -2.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -51.433783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.433783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.433783 (E_RNA) where: Base-Base interactions energy: -18.472 where: short stacking energy: -18.472 Base-Backbone interact. energy: -0.018 local terms energy: -32.943907 where: bonds (distance) C4'-P energy: -7.271 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -6.564 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: 9 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -43.340875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.340875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.340875 (E_RNA) where: Base-Base interactions energy: -14.379 where: short stacking energy: -14.379 Base-Backbone interact. energy: -0.032 local terms energy: -28.929731 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -1.205 tors. eta vs tors. theta energy: -5.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -35.320391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.320391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.320391 (E_RNA) where: Base-Base interactions energy: -9.881 where: short stacking energy: -9.881 Base-Backbone interact. energy: -0.096 local terms energy: -25.343168 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -4.503 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: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -38.062333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.062333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.062333 (E_RNA) where: Base-Base interactions energy: -10.232 where: short stacking energy: -8.716 Base-Backbone interact. energy: -0.132 local terms energy: -27.698519 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -33.293223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.293223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.293223 (E_RNA) where: Base-Base interactions energy: -7.593 where: short stacking energy: -7.593 Base-Backbone interact. energy: -0.002 local terms energy: -25.698576 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -4.368 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: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -33.425899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.425899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.425899 (E_RNA) where: Base-Base interactions energy: -7.971 where: short stacking energy: -8.045 Base-Backbone interact. energy: -0.076 local terms energy: -25.379021 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -4.136 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: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -35.339739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.339739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.339739 (E_RNA) where: Base-Base interactions energy: -5.454 where: short stacking energy: -5.454 Base-Backbone interact. energy: -0.722 local terms energy: -29.163890 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -5.836 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: 8, replica: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -34.019386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.019386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.019386 (E_RNA) where: Base-Base interactions energy: -8.882 where: short stacking energy: -8.882 Base-Backbone interact. energy: -0.047 local terms energy: -25.090575 where: bonds (distance) C4'-P energy: -5.566 bonds (distance) P-C4' energy: -6.347 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -5.941 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: 9, replica: 4 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -32.245601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.245601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.245601 (E_RNA) where: Base-Base interactions energy: -8.496 where: short stacking energy: -8.496 Base-Backbone interact. energy: -0.000 local terms energy: -23.749503 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -2.263 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: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -34.846612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.846612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.846612 (E_RNA) where: Base-Base interactions energy: -9.131 where: short stacking energy: -9.131 Base-Backbone interact. energy: -0.019 local terms energy: -25.696542 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -3.907 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: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -43.873821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.873821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.873821 (E_RNA) where: Base-Base interactions energy: -13.544 where: short stacking energy: -13.544 Base-Backbone interact. energy: -0.034 local terms energy: -30.295950 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -6.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -39.062337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.062337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.062337 (E_RNA) where: Base-Base interactions energy: -10.517 where: short stacking energy: -10.517 Base-Backbone interact. energy: -0.330 local terms energy: -28.215648 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -6.917 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: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -39.950033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.950033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.950033 (E_RNA) where: Base-Base interactions energy: -8.437 where: short stacking energy: -8.437 Base-Backbone interact. energy: -0.006 local terms energy: -31.507451 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -45.198010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.198010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.198010 (E_RNA) where: Base-Base interactions energy: -13.113 where: short stacking energy: -13.113 Base-Backbone interact. energy: -0.006 local terms energy: -32.078410 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -4.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -32.705766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.705766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.705766 (E_RNA) where: Base-Base interactions energy: -7.120 where: short stacking energy: -7.120 Base-Backbone interact. energy: -0.357 local terms energy: -25.228665 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -1.976 tors. eta vs tors. theta energy: 0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -39.362071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.362071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.362071 (E_RNA) where: Base-Base interactions energy: -9.947 where: short stacking energy: -9.947 Base-Backbone interact. energy: -0.010 local terms energy: -29.404896 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -37.397890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.397890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.397890 (E_RNA) where: Base-Base interactions energy: -9.282 where: short stacking energy: -9.282 Base-Backbone interact. energy: -0.046 local terms energy: -28.069542 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -5.844 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: 396 Temperature: 1.250000 Total energy: -34.985407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.985407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.985407 (E_RNA) where: Base-Base interactions energy: -8.613 where: short stacking energy: -8.613 Base-Backbone interact. energy: -0.004 local terms energy: -26.368399 where: bonds (distance) C4'-P energy: -6.145 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -33.564509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.564509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.564509 (E_RNA) where: Base-Base interactions energy: -7.856 where: short stacking energy: -7.856 Base-Backbone interact. energy: -0.076 local terms energy: -25.632413 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: 0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -29.316242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.316242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.316242 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -5.496 Base-Backbone interact. energy: -0.981 local terms energy: -21.468357 where: bonds (distance) C4'-P energy: -6.145 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -3.606 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: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -48.754118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.754118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.754118 (E_RNA) where: Base-Base interactions energy: -17.659 where: short stacking energy: -14.612 Base-Backbone interact. energy: 0.092 local terms energy: -31.186840 where: bonds (distance) C4'-P energy: -7.871 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -42.746018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.746018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.746018 (E_RNA) where: Base-Base interactions energy: -13.867 where: short stacking energy: -9.715 Base-Backbone interact. energy: -0.027 local terms energy: -28.852613 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -4.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -37.633177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.633177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.633177 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -8.630 Base-Backbone interact. energy: -0.084 local terms energy: -28.919454 where: bonds (distance) C4'-P energy: -6.414 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -35.464696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.464696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.464696 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.447 local terms energy: -26.917655 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -37.578296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.578296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.578296 (E_RNA) where: Base-Base interactions energy: -8.924 where: short stacking energy: -8.924 Base-Backbone interact. energy: -0.833 local terms energy: -27.820795 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -6.789 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -5.485 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: 6, replica: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -41.445402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.445402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.445402 (E_RNA) where: Base-Base interactions energy: -7.013 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.000 local terms energy: -34.432737 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -36.946156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.946156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.946156 (E_RNA) where: Base-Base interactions energy: -8.804 where: short stacking energy: -7.243 Base-Backbone interact. energy: -0.001 local terms energy: -28.140636 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -5.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -35.778966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.778966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.778966 (E_RNA) where: Base-Base interactions energy: -11.582 where: short stacking energy: -11.582 Base-Backbone interact. energy: -0.000 local terms energy: -24.197164 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -4.176 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: 9, replica: 6 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -37.786738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.786738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.786738 (E_RNA) where: Base-Base interactions energy: -10.234 where: short stacking energy: -10.234 Base-Backbone interact. energy: -0.000 local terms energy: -27.552450 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -6.379 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: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -32.874626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.874626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.874626 (E_RNA) where: Base-Base interactions energy: -10.490 where: short stacking energy: -10.490 Base-Backbone interact. energy: -0.024 local terms energy: -22.360210 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -3.164 flat angles P-C4'-P energy: -3.106 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: 1, replica: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -43.112293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.112293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.112293 (E_RNA) where: Base-Base interactions energy: -15.487 where: short stacking energy: -15.487 Base-Backbone interact. energy: -0.078 local terms energy: -27.547187 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -1.713 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -46.288180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.288180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.288180 (E_RNA) where: Base-Base interactions energy: -14.293 where: short stacking energy: -14.293 Base-Backbone interact. energy: -0.000 local terms energy: -31.994983 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -5.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -40.169839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.169839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.169839 (E_RNA) where: Base-Base interactions energy: -8.772 where: short stacking energy: -8.772 Base-Backbone interact. energy: -0.021 local terms energy: -31.375911 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -5.565 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: 4, replica: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -49.027325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.027325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.027325 (E_RNA) where: Base-Base interactions energy: -22.451 where: short stacking energy: -22.451 Base-Backbone interact. energy: -0.025 local terms energy: -26.550678 where: bonds (distance) C4'-P energy: -5.647 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -2.533 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: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -41.397686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.397686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.397686 (E_RNA) where: Base-Base interactions energy: -12.805 where: short stacking energy: -12.805 Base-Backbone interact. energy: -0.007 local terms energy: -28.585198 where: bonds (distance) C4'-P energy: -6.203 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -3.589 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: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -42.522436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.522436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.522436 (E_RNA) where: Base-Base interactions energy: -12.492 where: short stacking energy: -12.492 Base-Backbone interact. energy: -0.026 local terms energy: -30.003629 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -3.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -36.646248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.646248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.646248 (E_RNA) where: Base-Base interactions energy: -9.682 where: short stacking energy: -9.682 Base-Backbone interact. energy: -0.010 local terms energy: -26.954281 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.442 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -3.969 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: 8, replica: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -41.420350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.420350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.420350 (E_RNA) where: Base-Base interactions energy: -15.511 where: short stacking energy: -15.511 Base-Backbone interact. energy: -0.059 local terms energy: -25.850092 where: bonds (distance) C4'-P energy: -2.604 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -6.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -32.020692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.020692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.020692 (E_RNA) where: Base-Base interactions energy: -3.149 where: short stacking energy: -1.816 Base-Backbone interact. energy: 0.572 local terms energy: -29.443737 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -43.255977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.255977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.255977 (E_RNA) where: Base-Base interactions energy: -12.939 where: short stacking energy: -12.939 Base-Backbone interact. energy: -0.132 local terms energy: -30.184338 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -3.938 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: 1, replica: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -48.000332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.000332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.000332 (E_RNA) where: Base-Base interactions energy: -12.167 where: short stacking energy: -12.167 Base-Backbone interact. energy: -0.060 local terms energy: -35.772944 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -6.838 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: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -34.374326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.374326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.374326 (E_RNA) where: Base-Base interactions energy: -7.257 where: short stacking energy: -6.683 Base-Backbone interact. energy: -0.130 local terms energy: -26.987423 where: bonds (distance) C4'-P energy: -5.802 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -8.115 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -0.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -47.642469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.642469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.642469 (E_RNA) where: Base-Base interactions energy: -16.039 where: short stacking energy: -16.039 Base-Backbone interact. energy: -0.001 local terms energy: -31.602663 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -5.791 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: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -36.123273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.123273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.123273 (E_RNA) where: Base-Base interactions energy: -13.101 where: short stacking energy: -8.400 Base-Backbone interact. energy: -0.015 local terms energy: -23.007130 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -7.301 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -2.643 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: 5, replica: 9 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -39.720558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.720558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.720558 (E_RNA) where: Base-Base interactions energy: -13.408 where: short stacking energy: -13.408 Base-Backbone interact. energy: -0.000 local terms energy: -26.312927 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -42.208030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.208030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.208030 (E_RNA) where: Base-Base interactions energy: -10.069 where: short stacking energy: -10.069 Base-Backbone interact. energy: -0.064 local terms energy: -32.076007 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -5.460 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: 3 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -34.860931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.860931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.860931 (E_RNA) where: Base-Base interactions energy: -10.269 where: short stacking energy: -10.269 Base-Backbone interact. energy: -0.000 local terms energy: -24.591558 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: 0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -29.837068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.837068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.837068 (E_RNA) where: Base-Base interactions energy: -7.591 where: short stacking energy: -6.221 Base-Backbone interact. energy: -0.166 local terms energy: -22.080238 where: bonds (distance) C4'-P energy: -5.143 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -4.471 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: 9, replica: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -31.444638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.444638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.444638 (E_RNA) where: Base-Base interactions energy: -4.905 where: short stacking energy: -4.702 Base-Backbone interact. energy: -0.037 local terms energy: -26.502655 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -5.089 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: 10, replica: 6 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -30.445084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.445084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.445084 (E_RNA) where: Base-Base interactions energy: -9.219 where: short stacking energy: -8.080 Base-Backbone interact. energy: -0.143 local terms energy: -21.082473 where: bonds (distance) C4'-P energy: -5.489 bonds (distance) P-C4' energy: -6.537 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -3.470 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: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -42.376003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.376003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.376003 (E_RNA) where: Base-Base interactions energy: -12.987 where: short stacking energy: -12.987 Base-Backbone interact. energy: -0.018 local terms energy: -29.371573 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -45.507426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.507426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.507426 (E_RNA) where: Base-Base interactions energy: -22.923 where: short stacking energy: -10.797 Base-Backbone interact. energy: -0.165 local terms energy: -22.419059 where: bonds (distance) C4'-P energy: -4.427 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.857 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: 3, replica: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -45.990391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.990391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.990391 (E_RNA) where: Base-Base interactions energy: -16.031 where: short stacking energy: -16.031 Base-Backbone interact. energy: -0.004 local terms energy: -29.955279 where: bonds (distance) C4'-P energy: -5.788 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -5.590 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: 4, replica: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -42.481611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.481611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.481611 (E_RNA) where: Base-Base interactions energy: -10.398 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.794 local terms energy: -31.289332 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -35.319027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.319027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.319027 (E_RNA) where: Base-Base interactions energy: -9.058 where: short stacking energy: -9.058 Base-Backbone interact. energy: -0.136 local terms energy: -26.125156 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.426 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: 6, replica: 9 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -38.782595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.782595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.782595 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -9.920 Base-Backbone interact. energy: -2.640 local terms energy: -26.085837 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -6.534 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -4.957 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: 7, replica: 3 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -38.295101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.295101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.295101 (E_RNA) where: Base-Base interactions energy: -9.539 where: short stacking energy: -9.539 Base-Backbone interact. energy: -0.052 local terms energy: -28.703741 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -4.913 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: 8, replica: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -35.250285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.250285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.250285 (E_RNA) where: Base-Base interactions energy: -7.055 where: short stacking energy: -7.055 Base-Backbone interact. energy: -0.000 local terms energy: -28.194930 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -3.358 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: 9, replica: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -29.906315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.906315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.906315 (E_RNA) where: Base-Base interactions energy: -1.971 where: short stacking energy: -1.971 Base-Backbone interact. energy: -0.163 local terms energy: -27.771646 where: bonds (distance) C4'-P energy: -6.339 bonds (distance) P-C4' energy: -6.079 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -34.898011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.898011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.898011 (E_RNA) where: Base-Base interactions energy: -11.467 where: short stacking energy: -11.467 Base-Backbone interact. energy: -0.127 local terms energy: -23.304513 where: bonds (distance) C4'-P energy: -6.277 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -2.452 tors. eta vs tors. theta energy: -0.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -41.228264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.228264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.228264 (E_RNA) where: Base-Base interactions energy: -10.459 where: short stacking energy: -10.459 Base-Backbone interact. energy: -0.014 local terms energy: -30.755603 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -4.864 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: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -44.406568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.406568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.406568 (E_RNA) where: Base-Base interactions energy: -15.431 where: short stacking energy: -15.431 Base-Backbone interact. energy: 0.222 local terms energy: -29.197999 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -6.660 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -1.896 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -44.413314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.413314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.413314 (E_RNA) where: Base-Base interactions energy: -18.263 where: short stacking energy: -16.158 Base-Backbone interact. energy: -0.261 local terms energy: -25.889724 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -4.191 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: 4, replica: 7 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -35.540121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.540121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.540121 (E_RNA) where: Base-Base interactions energy: -5.892 where: short stacking energy: -5.892 Base-Backbone interact. energy: -0.030 local terms energy: -29.618802 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -36.910689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.910689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.910689 (E_RNA) where: Base-Base interactions energy: -10.051 where: short stacking energy: -10.051 Base-Backbone interact. energy: -0.038 local terms energy: -26.821846 where: bonds (distance) C4'-P energy: -5.462 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -37.975862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.975862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.975862 (E_RNA) where: Base-Base interactions energy: -11.999 where: short stacking energy: -11.999 Base-Backbone interact. energy: -0.001 local terms energy: -25.976005 where: bonds (distance) C4'-P energy: -4.662 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -3.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -33.968735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.968735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.968735 (E_RNA) where: Base-Base interactions energy: -8.642 where: short stacking energy: -8.642 Base-Backbone interact. energy: -0.125 local terms energy: -25.201668 where: bonds (distance) C4'-P energy: -4.707 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -6.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -31.927505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.927505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.927505 (E_RNA) where: Base-Base interactions energy: -5.259 where: short stacking energy: -5.259 Base-Backbone interact. energy: -0.014 local terms energy: -26.654339 where: bonds (distance) C4'-P energy: -4.621 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -4.957 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: 9, replica: 4 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -32.023617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.023617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.023617 (E_RNA) where: Base-Base interactions energy: -6.454 where: short stacking energy: -4.517 Base-Backbone interact. energy: -0.281 local terms energy: -25.288404 where: bonds (distance) C4'-P energy: -7.734 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -28.394309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.394309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.394309 (E_RNA) where: Base-Base interactions energy: -5.487 where: short stacking energy: -5.487 Base-Backbone interact. energy: -0.121 local terms energy: -22.786470 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -4.706 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -3.873 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: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -45.310140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.310140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.310140 (E_RNA) where: Base-Base interactions energy: -11.766 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.001 local terms energy: -33.542987 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -6.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -38.541102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.541102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.541102 (E_RNA) where: Base-Base interactions energy: -7.476 where: short stacking energy: -7.476 Base-Backbone interact. energy: -0.047 local terms energy: -31.018701 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -7.973 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -43.770511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.770511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.770511 (E_RNA) where: Base-Base interactions energy: -14.750 where: short stacking energy: -14.750 Base-Backbone interact. energy: -0.000 local terms energy: -29.020568 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -40.031778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.031778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.031778 (E_RNA) where: Base-Base interactions energy: -11.577 where: short stacking energy: -11.577 Base-Backbone interact. energy: -0.000 local terms energy: -28.454650 where: bonds (distance) C4'-P energy: -6.041 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -4.386 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: 5, replica: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -35.414496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.414496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.414496 (E_RNA) where: Base-Base interactions energy: -6.283 where: short stacking energy: -6.283 Base-Backbone interact. energy: -0.049 local terms energy: -29.082629 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -6.136 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: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -31.562430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.562430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.562430 (E_RNA) where: Base-Base interactions energy: -5.906 where: short stacking energy: -5.906 Base-Backbone interact. energy: 0.187 local terms energy: -25.843063 where: bonds (distance) C4'-P energy: -6.037 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -4.971 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: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -35.615573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.615573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.615573 (E_RNA) where: Base-Base interactions energy: -9.711 where: short stacking energy: -5.250 Base-Backbone interact. energy: -0.033 local terms energy: -25.870841 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -5.266 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: 8, replica: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -36.677824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.677824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.677824 (E_RNA) where: Base-Base interactions energy: -5.024 where: short stacking energy: -5.024 Base-Backbone interact. energy: 0.171 local terms energy: -31.824536 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -6.638 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -33.795251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.795251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.795251 (E_RNA) where: Base-Base interactions energy: -9.855 where: short stacking energy: -9.855 Base-Backbone interact. energy: -0.001 local terms energy: -23.940045 where: bonds (distance) C4'-P energy: -2.067 bonds (distance) P-C4' energy: -5.692 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -29.905317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.905317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.905317 (E_RNA) where: Base-Base interactions energy: -5.997 where: short stacking energy: -5.997 Base-Backbone interact. energy: -0.289 local terms energy: -23.619485 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: 1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -41.206742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.206742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.206742 (E_RNA) where: Base-Base interactions energy: -11.902 where: short stacking energy: -11.902 Base-Backbone interact. energy: -0.118 local terms energy: -29.186509 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -6.344 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: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -39.012732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.012732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.012732 (E_RNA) where: Base-Base interactions energy: -12.144 where: short stacking energy: -11.193 Base-Backbone interact. energy: -0.232 local terms energy: -26.636399 where: bonds (distance) C4'-P energy: -7.532 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -4.837 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: 3, replica: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -43.804512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.804512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.804512 (E_RNA) where: Base-Base interactions energy: -17.881 where: short stacking energy: -15.726 Base-Backbone interact. energy: -0.327 local terms energy: -25.596117 where: bonds (distance) C4'-P energy: -5.934 bonds (distance) P-C4' energy: -6.714 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -4.956 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: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -45.236657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.236657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.236657 (E_RNA) where: Base-Base interactions energy: -13.706 where: short stacking energy: -13.706 Base-Backbone interact. energy: -0.004 local terms energy: -31.526736 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -7.129 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: 5, replica: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -35.464803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.464803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.464803 (E_RNA) where: Base-Base interactions energy: -8.090 where: short stacking energy: -8.090 Base-Backbone interact. energy: -0.074 local terms energy: -27.300260 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -4.074 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: 6, replica: 6 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -35.623160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.623160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.623160 (E_RNA) where: Base-Base interactions energy: -9.170 where: short stacking energy: -9.170 Base-Backbone interact. energy: -0.074 local terms energy: -26.379982 where: bonds (distance) C4'-P energy: -5.918 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -4.693 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: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -37.470056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.470056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.470056 (E_RNA) where: Base-Base interactions energy: -12.401 where: short stacking energy: -12.401 Base-Backbone interact. energy: -0.011 local terms energy: -25.057393 where: bonds (distance) C4'-P energy: -3.598 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -2.754 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: 8, replica: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -35.761334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.761334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.761334 (E_RNA) where: Base-Base interactions energy: -7.549 where: short stacking energy: -7.549 Base-Backbone interact. energy: 0.573 local terms energy: -28.786030 where: bonds (distance) C4'-P energy: -6.815 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -3.013 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: 9, replica: 8 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -32.443586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.443586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.443586 (E_RNA) where: Base-Base interactions energy: -5.918 where: short stacking energy: -5.918 Base-Backbone interact. energy: -0.120 local terms energy: -26.405432 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -38.203341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.203341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.203341 (E_RNA) where: Base-Base interactions energy: -16.082 where: short stacking energy: -16.082 Base-Backbone interact. energy: -0.000 local terms energy: -22.121081 where: bonds (distance) C4'-P energy: -6.261 bonds (distance) P-C4' energy: -7.626 flat angles C4'-P-C4' energy: -0.724 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -4.673 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: 2 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -43.791748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.791748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.791748 (E_RNA) where: Base-Base interactions energy: -16.321 where: short stacking energy: -15.233 Base-Backbone interact. energy: -0.112 local terms energy: -27.358396 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -38.820754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.820754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.820754 (E_RNA) where: Base-Base interactions energy: -12.634 where: short stacking energy: -12.634 Base-Backbone interact. energy: -0.132 local terms energy: -26.055007 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -3.425 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: 3, replica: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -37.070607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.070607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.070607 (E_RNA) where: Base-Base interactions energy: -10.934 where: short stacking energy: -10.934 Base-Backbone interact. energy: -0.010 local terms energy: -26.126785 where: bonds (distance) C4'-P energy: -5.867 bonds (distance) P-C4' energy: -6.969 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -3.753 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: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -48.890098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.890098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.890098 (E_RNA) where: Base-Base interactions energy: -16.063 where: short stacking energy: -16.063 Base-Backbone interact. energy: -0.000 local terms energy: -32.826960 where: bonds (distance) C4'-P energy: -6.244 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -5.935 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: 6 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -39.808627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.808627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.808627 (E_RNA) where: Base-Base interactions energy: -15.181 where: short stacking energy: -12.178 Base-Backbone interact. energy: -0.157 local terms energy: -24.470837 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -5.792 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -5.510 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: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -34.788534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.788534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.788534 (E_RNA) where: Base-Base interactions energy: -10.390 where: short stacking energy: -10.390 Base-Backbone interact. energy: -0.028 local terms energy: -24.370683 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -4.041 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -3.743 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: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -35.382760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.382760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.382760 (E_RNA) where: Base-Base interactions energy: -9.015 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.106 local terms energy: -26.260925 where: bonds (distance) C4'-P energy: -6.430 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -2.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -33.121577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.121577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.121577 (E_RNA) where: Base-Base interactions energy: -6.435 where: short stacking energy: -6.435 Base-Backbone interact. energy: -0.097 local terms energy: -26.589138 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -6.375 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -5.303 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -36.461155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.461155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.461155 (E_RNA) where: Base-Base interactions energy: -11.784 where: short stacking energy: -11.784 Base-Backbone interact. energy: -0.413 local terms energy: -24.264112 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -3.245 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -34.231961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.231961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.231961 (E_RNA) where: Base-Base interactions energy: -8.530 where: short stacking energy: -5.368 Base-Backbone interact. energy: -0.267 local terms energy: -25.434978 where: bonds (distance) C4'-P energy: -5.135 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -4.878 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: 1, replica: 2 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -44.208073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.208073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.208073 (E_RNA) where: Base-Base interactions energy: -11.786 where: short stacking energy: -11.786 Base-Backbone interact. energy: -0.001 local terms energy: -32.420869 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -5.594 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: 2, replica: 7 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -43.310319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.310319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.310319 (E_RNA) where: Base-Base interactions energy: -14.382 where: short stacking energy: -14.382 Base-Backbone interact. energy: -0.038 local terms energy: -28.890715 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -7.141 flat angles P-C4'-P energy: -5.549 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: 3, replica: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -39.570475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.570475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.570475 (E_RNA) where: Base-Base interactions energy: -9.605 where: short stacking energy: -9.605 Base-Backbone interact. energy: -1.193 local terms energy: -28.772451 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -40.370265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.370265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.370265 (E_RNA) where: Base-Base interactions energy: -11.351 where: short stacking energy: -11.351 Base-Backbone interact. energy: -0.008 local terms energy: -29.010770 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -41.855028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.855028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.855028 (E_RNA) where: Base-Base interactions energy: -11.379 where: short stacking energy: -11.379 Base-Backbone interact. energy: -0.000 local terms energy: -30.475643 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -4.963 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -5.045 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: 405 Temperature: 1.150000 Total energy: -35.458336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.458336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.458336 (E_RNA) where: Base-Base interactions energy: -7.705 where: short stacking energy: -7.705 Base-Backbone interact. energy: -0.179 local terms energy: -27.574980 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -36.456445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456445 (E_RNA) where: Base-Base interactions energy: -10.015 where: short stacking energy: -10.037 Base-Backbone interact. energy: -0.001 local terms energy: -26.441060 where: bonds (distance) C4'-P energy: -5.105 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -31.892037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.892037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.892037 (E_RNA) where: Base-Base interactions energy: -10.487 where: short stacking energy: -5.523 Base-Backbone interact. energy: -0.317 local terms energy: -21.088516 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: 0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -35.226027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.226027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.226027 (E_RNA) where: Base-Base interactions energy: -10.452 where: short stacking energy: -5.526 Base-Backbone interact. energy: -0.032 local terms energy: -24.742513 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -6.614 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -33.406333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.406333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.406333 (E_RNA) where: Base-Base interactions energy: -11.684 where: short stacking energy: -11.684 Base-Backbone interact. energy: -0.063 local terms energy: -21.659760 where: bonds (distance) C4'-P energy: -5.652 bonds (distance) P-C4' energy: -6.427 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -1.716 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: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -43.946076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.946076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.946076 (E_RNA) where: Base-Base interactions energy: -13.052 where: short stacking energy: -13.052 Base-Backbone interact. energy: -0.001 local terms energy: -30.893736 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -3.011 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: 2, replica: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -43.334514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.334514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.334514 (E_RNA) where: Base-Base interactions energy: -12.436 where: short stacking energy: -12.436 Base-Backbone interact. energy: -0.009 local terms energy: -30.888891 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -4.222 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: 3, replica: 10 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -39.585514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.585514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.585514 (E_RNA) where: Base-Base interactions energy: -11.947 where: short stacking energy: -11.947 Base-Backbone interact. energy: -0.010 local terms energy: -27.628481 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -41.906960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.906960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.906960 (E_RNA) where: Base-Base interactions energy: -11.578 where: short stacking energy: -9.879 Base-Backbone interact. energy: -0.213 local terms energy: -30.116372 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -4.855 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: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -41.351418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.351418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.351418 (E_RNA) where: Base-Base interactions energy: -14.294 where: short stacking energy: -9.523 Base-Backbone interact. energy: -0.075 local terms energy: -26.981540 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -36.420089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.420089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.420089 (E_RNA) where: Base-Base interactions energy: -10.045 where: short stacking energy: -10.045 Base-Backbone interact. energy: -0.000 local terms energy: -26.374974 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -6.798 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -6.901 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -37.353145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.353145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.353145 (E_RNA) where: Base-Base interactions energy: -10.882 where: short stacking energy: -10.882 Base-Backbone interact. energy: -0.000 local terms energy: -26.470682 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -1.652 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -37.104036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.104036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.104036 (E_RNA) where: Base-Base interactions energy: -7.206 where: short stacking energy: -7.206 Base-Backbone interact. energy: -0.202 local terms energy: -29.696553 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -32.943153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.943153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.943153 (E_RNA) where: Base-Base interactions energy: -5.824 where: short stacking energy: -5.824 Base-Backbone interact. energy: -0.005 local terms energy: -27.114203 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -31.074434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.074434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.074434 (E_RNA) where: Base-Base interactions energy: -7.284 where: short stacking energy: -7.284 Base-Backbone interact. energy: -0.000 local terms energy: -23.790677 where: bonds (distance) C4'-P energy: -5.631 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -50.935171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.935171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.935171 (E_RNA) where: Base-Base interactions energy: -18.896 where: short stacking energy: -18.896 Base-Backbone interact. energy: -0.000 local terms energy: -32.038583 where: bonds (distance) C4'-P energy: -6.368 bonds (distance) P-C4' energy: -7.439 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -42.545528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.545528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.545528 (E_RNA) where: Base-Base interactions energy: -11.205 where: short stacking energy: -11.205 Base-Backbone interact. energy: -0.101 local terms energy: -31.239993 where: bonds (distance) C4'-P energy: -7.718 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -44.349244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.349244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.349244 (E_RNA) where: Base-Base interactions energy: -14.412 where: short stacking energy: -14.412 Base-Backbone interact. energy: -0.023 local terms energy: -29.914393 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -8.329 flat angles P-C4'-P energy: -3.655 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: 4, replica: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -36.684076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.684076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.684076 (E_RNA) where: Base-Base interactions energy: -8.600 where: short stacking energy: -5.833 Base-Backbone interact. energy: -0.371 local terms energy: -27.712832 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -38.795586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.795586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.795586 (E_RNA) where: Base-Base interactions energy: -10.895 where: short stacking energy: -10.895 Base-Backbone interact. energy: -0.000 local terms energy: -27.900241 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -2.061 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -34.290366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.290366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.290366 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -5.656 Base-Backbone interact. energy: -0.014 local terms energy: -28.620832 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -5.559 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: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -34.760871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.760871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.760871 (E_RNA) where: Base-Base interactions energy: -8.092 where: short stacking energy: -8.092 Base-Backbone interact. energy: -0.046 local terms energy: -26.623433 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -6.432 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: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -30.621175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.621175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.621175 (E_RNA) where: Base-Base interactions energy: -4.242 where: short stacking energy: -4.098 Base-Backbone interact. energy: 0.183 local terms energy: -26.562023 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -5.663 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -2.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -39.332939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.332939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.332939 (E_RNA) where: Base-Base interactions energy: -9.904 where: short stacking energy: -6.383 Base-Backbone interact. energy: -0.025 local terms energy: -29.404414 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -6.144 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: 5 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -34.659948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.659948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.659948 (E_RNA) where: Base-Base interactions energy: -11.247 where: short stacking energy: -10.681 Base-Backbone interact. energy: -1.042 local terms energy: -22.370393 where: bonds (distance) C4'-P energy: -5.685 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: -0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -46.177407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.177407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.177407 (E_RNA) where: Base-Base interactions energy: -15.435 where: short stacking energy: -15.435 Base-Backbone interact. energy: -0.033 local terms energy: -30.709096 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -33.819496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.819496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.819496 (E_RNA) where: Base-Base interactions energy: -4.714 where: short stacking energy: -4.714 Base-Backbone interact. energy: -0.003 local terms energy: -29.103111 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -4.186 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: 3, replica: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -39.170785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.170785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.170785 (E_RNA) where: Base-Base interactions energy: -13.236 where: short stacking energy: -11.021 Base-Backbone interact. energy: -0.126 local terms energy: -25.809260 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -5.124 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: 4, replica: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -44.092424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.092424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.092424 (E_RNA) where: Base-Base interactions energy: -12.970 where: short stacking energy: -12.970 Base-Backbone interact. energy: -0.074 local terms energy: -31.049271 where: bonds (distance) C4'-P energy: -6.535 bonds (distance) P-C4' energy: -5.514 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -5.983 tors. eta vs tors. theta energy: -5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -36.503378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.503378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.503378 (E_RNA) where: Base-Base interactions energy: -6.473 where: short stacking energy: -6.473 Base-Backbone interact. energy: -0.001 local terms energy: -30.028947 where: bonds (distance) C4'-P energy: -8.012 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -37.510958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.510958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.510958 (E_RNA) where: Base-Base interactions energy: -10.216 where: short stacking energy: -10.216 Base-Backbone interact. energy: -0.002 local terms energy: -27.293288 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -6.742 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -33.604910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.604910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.604910 (E_RNA) where: Base-Base interactions energy: -8.149 where: short stacking energy: -8.149 Base-Backbone interact. energy: -0.067 local terms energy: -25.388477 where: bonds (distance) C4'-P energy: -4.576 bonds (distance) P-C4' energy: -7.224 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -2.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -31.561526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.561526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.561526 (E_RNA) where: Base-Base interactions energy: -7.461 where: short stacking energy: -6.065 Base-Backbone interact. energy: -0.177 local terms energy: -23.924118 where: bonds (distance) C4'-P energy: -4.265 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: 0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -30.212039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.212039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.212039 (E_RNA) where: Base-Base interactions energy: -6.692 where: short stacking energy: -6.692 Base-Backbone interact. energy: -0.090 local terms energy: -23.430329 where: bonds (distance) C4'-P energy: -6.939 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -1.802 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: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -35.296411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.296411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.296411 (E_RNA) where: Base-Base interactions energy: -8.127 where: short stacking energy: -8.127 Base-Backbone interact. energy: -0.001 local terms energy: -27.168198 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -6.245 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -48.266695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.266695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.266695 (E_RNA) where: Base-Base interactions energy: -16.344 where: short stacking energy: -16.344 Base-Backbone interact. energy: -0.000 local terms energy: -31.922326 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.972 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -6.838 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: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -44.204253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.204253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.204253 (E_RNA) where: Base-Base interactions energy: -14.108 where: short stacking energy: -14.108 Base-Backbone interact. energy: -0.063 local terms energy: -30.033316 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -5.247 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: 3, replica: 7 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -39.651081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.651081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.651081 (E_RNA) where: Base-Base interactions energy: -14.043 where: short stacking energy: -14.043 Base-Backbone interact. energy: -0.001 local terms energy: -25.607252 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.924 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: 4, replica: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -40.891834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.891834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.891834 (E_RNA) where: Base-Base interactions energy: -13.380 where: short stacking energy: -13.380 Base-Backbone interact. energy: -0.000 local terms energy: -27.511086 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -5.109 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: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -36.362906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.362906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.362906 (E_RNA) where: Base-Base interactions energy: -11.180 where: short stacking energy: -11.180 Base-Backbone interact. energy: 0.357 local terms energy: -25.539873 where: bonds (distance) C4'-P energy: -5.577 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -5.849 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: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -36.299052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.299052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.299052 (E_RNA) where: Base-Base interactions energy: -9.044 where: short stacking energy: -9.044 Base-Backbone interact. energy: -0.059 local terms energy: -27.196085 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: 1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -39.486483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.486483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.486483 (E_RNA) where: Base-Base interactions energy: -12.045 where: short stacking energy: -12.045 Base-Backbone interact. energy: -0.000 local terms energy: -27.440746 where: bonds (distance) C4'-P energy: -6.600 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -4.281 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: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -33.687877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.687877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.687877 (E_RNA) where: Base-Base interactions energy: -7.935 where: short stacking energy: -7.935 Base-Backbone interact. energy: -0.932 local terms energy: -24.821397 where: bonds (distance) C4'-P energy: -5.188 bonds (distance) P-C4' energy: -5.955 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -5.764 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: 9, replica: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -35.372689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.372689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.372689 (E_RNA) where: Base-Base interactions energy: -6.690 where: short stacking energy: -6.690 Base-Backbone interact. energy: -0.997 local terms energy: -27.686126 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -5.172 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: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -31.028004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.028004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.028004 (E_RNA) where: Base-Base interactions energy: -6.861 where: short stacking energy: -6.861 Base-Backbone interact. energy: -0.002 local terms energy: -24.164895 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -4.697 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -45.596997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.596997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.596997 (E_RNA) where: Base-Base interactions energy: -14.530 where: short stacking energy: -14.530 Base-Backbone interact. energy: -0.013 local terms energy: -31.053689 where: bonds (distance) C4'-P energy: -4.725 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -46.669631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.669631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.669631 (E_RNA) where: Base-Base interactions energy: -20.280 where: short stacking energy: -20.280 Base-Backbone interact. energy: -0.000 local terms energy: -26.389882 where: bonds (distance) C4'-P energy: -6.765 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -0.264 tors. eta vs tors. theta energy: -6.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -40.621466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.621466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.621466 (E_RNA) where: Base-Base interactions energy: -10.490 where: short stacking energy: -10.490 Base-Backbone interact. energy: 0.384 local terms energy: -30.516202 where: bonds (distance) C4'-P energy: -6.704 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -6.277 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: 4, replica: 7 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -42.275975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.275975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.275975 (E_RNA) where: Base-Base interactions energy: -14.265 where: short stacking energy: -14.088 Base-Backbone interact. energy: -0.168 local terms energy: -27.842753 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -38.921858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.921858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.921858 (E_RNA) where: Base-Base interactions energy: -10.455 where: short stacking energy: -10.455 Base-Backbone interact. energy: -0.010 local terms energy: -28.456781 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -3.476 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -4.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -34.160781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.160781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.160781 (E_RNA) where: Base-Base interactions energy: -9.637 where: short stacking energy: -8.685 Base-Backbone interact. energy: -0.000 local terms energy: -24.523718 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -2.044 tors. eta vs tors. theta energy: -5.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -35.447928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.447928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.447928 (E_RNA) where: Base-Base interactions energy: -12.192 where: short stacking energy: -12.192 Base-Backbone interact. energy: -0.016 local terms energy: -23.239984 where: bonds (distance) C4'-P energy: -6.331 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -2.049 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: 6 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -30.213928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.213928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.213928 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -7.412 Base-Backbone interact. energy: -0.124 local terms energy: -22.877690 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -5.853 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -5.790 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: 9, replica: 1 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -32.200193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.200193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.200193 (E_RNA) where: Base-Base interactions energy: -6.382 where: short stacking energy: -6.382 Base-Backbone interact. energy: -0.092 local terms energy: -25.726732 where: bonds (distance) C4'-P energy: -6.065 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -4.432 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: 5 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -35.493563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.493563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.493563 (E_RNA) where: Base-Base interactions energy: -7.352 where: short stacking energy: -7.352 Base-Backbone interact. energy: -0.011 local terms energy: -28.130632 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -2.895 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: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -45.529134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.529134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.529134 (E_RNA) where: Base-Base interactions energy: -16.712 where: short stacking energy: -16.712 Base-Backbone interact. energy: -0.022 local terms energy: -28.795480 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -6.153 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: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -42.845419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.845419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.845419 (E_RNA) where: Base-Base interactions energy: -10.643 where: short stacking energy: -10.643 Base-Backbone interact. energy: -0.030 local terms energy: -32.171907 where: bonds (distance) C4'-P energy: -6.443 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -6.345 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: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -38.169137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.169137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.169137 (E_RNA) where: Base-Base interactions energy: -9.490 where: short stacking energy: -9.490 Base-Backbone interact. energy: -1.260 local terms energy: -27.419371 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -3.831 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: 4, replica: 8 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -39.688655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.688655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.688655 (E_RNA) where: Base-Base interactions energy: -12.139 where: short stacking energy: -10.214 Base-Backbone interact. energy: -0.024 local terms energy: -27.525797 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -33.618889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.618889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.618889 (E_RNA) where: Base-Base interactions energy: -11.220 where: short stacking energy: -9.033 Base-Backbone interact. energy: -0.002 local terms energy: -22.396793 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -6.215 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -38.654758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.654758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.654758 (E_RNA) where: Base-Base interactions energy: -11.566 where: short stacking energy: -11.566 Base-Backbone interact. energy: -0.000 local terms energy: -27.088949 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -5.340 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -5.466 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: 7, replica: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -39.871950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.871950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.871950 (E_RNA) where: Base-Base interactions energy: -10.408 where: short stacking energy: -10.550 Base-Backbone interact. energy: -0.083 local terms energy: -29.381844 where: bonds (distance) C4'-P energy: -3.784 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -5.566 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: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -32.567213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.567213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.567213 (E_RNA) where: Base-Base interactions energy: -5.655 where: short stacking energy: -5.655 Base-Backbone interact. energy: -0.002 local terms energy: -26.910258 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -4.345 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: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -31.259892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.259892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.259892 (E_RNA) where: Base-Base interactions energy: -8.253 where: short stacking energy: -4.217 Base-Backbone interact. energy: -0.049 local terms energy: -22.957643 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: 1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -33.758461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.758461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.758461 (E_RNA) where: Base-Base interactions energy: -9.044 where: short stacking energy: -9.044 Base-Backbone interact. energy: -0.010 local terms energy: -24.704563 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -5.397 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: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -39.067871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.067871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.067871 (E_RNA) where: Base-Base interactions energy: -10.341 where: short stacking energy: -10.341 Base-Backbone interact. energy: -1.621 local terms energy: -27.106316 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -6.613 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: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -40.982618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.982618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.982618 (E_RNA) where: Base-Base interactions energy: -13.769 where: short stacking energy: -13.769 Base-Backbone interact. energy: -0.000 local terms energy: -27.214090 where: bonds (distance) C4'-P energy: -6.907 bonds (distance) P-C4' energy: -4.918 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -4.912 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: 3, replica: 8 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -41.326987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.326987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.326987 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.020 local terms energy: -29.956827 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -4.949 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: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -38.671075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.671075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.671075 (E_RNA) where: Base-Base interactions energy: -12.825 where: short stacking energy: -7.853 Base-Backbone interact. energy: -0.016 local terms energy: -25.830634 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -2.601 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: 5, replica: 9 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -35.803202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.803202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.803202 (E_RNA) where: Base-Base interactions energy: -6.361 where: short stacking energy: -6.389 Base-Backbone interact. energy: -0.008 local terms energy: -29.434108 where: bonds (distance) C4'-P energy: -6.223 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -35.086181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.086181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.086181 (E_RNA) where: Base-Base interactions energy: -6.290 where: short stacking energy: -6.290 Base-Backbone interact. energy: -0.131 local terms energy: -28.664940 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -8.144 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -5.467 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: 7, replica: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -35.480018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.480018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.480018 (E_RNA) where: Base-Base interactions energy: -9.503 where: short stacking energy: -9.503 Base-Backbone interact. energy: -0.058 local terms energy: -25.919769 where: bonds (distance) C4'-P energy: -5.632 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -4.952 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: 8, replica: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -33.369958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.369958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.369958 (E_RNA) where: Base-Base interactions energy: -6.136 where: short stacking energy: -6.136 Base-Backbone interact. energy: -0.048 local terms energy: -27.186662 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -2.106 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: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -38.285877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.285877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.285877 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -11.652 Base-Backbone interact. energy: -0.000 local terms energy: -26.633653 where: bonds (distance) C4'-P energy: -2.534 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -7.880 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: 6 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -28.577692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.577692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.577692 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.162 local terms energy: -28.415403 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -49.339399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.339399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.339399 (E_RNA) where: Base-Base interactions energy: -18.530 where: short stacking energy: -18.530 Base-Backbone interact. energy: -0.001 local terms energy: -30.807567 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -45.836680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.836680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.836680 (E_RNA) where: Base-Base interactions energy: -13.084 where: short stacking energy: -13.584 Base-Backbone interact. energy: -0.110 local terms energy: -32.643176 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -6.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -41.393228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.393228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.393228 (E_RNA) where: Base-Base interactions energy: -14.045 where: short stacking energy: -14.045 Base-Backbone interact. energy: -0.096 local terms energy: -27.252025 where: bonds (distance) C4'-P energy: -6.563 bonds (distance) P-C4' energy: -7.224 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -38.709453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.709453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.709453 (E_RNA) where: Base-Base interactions energy: -11.059 where: short stacking energy: -11.059 Base-Backbone interact. energy: -0.054 local terms energy: -27.596115 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -4.863 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: 5, replica: 9 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -37.713363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.713363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.713363 (E_RNA) where: Base-Base interactions energy: -11.602 where: short stacking energy: -9.472 Base-Backbone interact. energy: -0.207 local terms energy: -25.905243 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: 0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -34.159946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.159946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.159946 (E_RNA) where: Base-Base interactions energy: -5.837 where: short stacking energy: -5.837 Base-Backbone interact. energy: -0.100 local terms energy: -28.222792 where: bonds (distance) C4'-P energy: -6.716 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -32.785085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.785085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.785085 (E_RNA) where: Base-Base interactions energy: -5.839 where: short stacking energy: -5.839 Base-Backbone interact. energy: -0.000 local terms energy: -26.946361 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -31.769313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.769313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.769313 (E_RNA) where: Base-Base interactions energy: -6.526 where: short stacking energy: -6.526 Base-Backbone interact. energy: -0.097 local terms energy: -25.145965 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -4.226 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: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -33.927563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.927563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.927563 (E_RNA) where: Base-Base interactions energy: -9.464 where: short stacking energy: -9.464 Base-Backbone interact. energy: -0.099 local terms energy: -24.363941 where: bonds (distance) C4'-P energy: -6.368 bonds (distance) P-C4' energy: -6.347 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -33.591300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.591300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.591300 (E_RNA) where: Base-Base interactions energy: -9.522 where: short stacking energy: -9.522 Base-Backbone interact. energy: -0.097 local terms energy: -23.972534 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -1.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -43.416512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.416512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.416512 (E_RNA) where: Base-Base interactions energy: -16.053 where: short stacking energy: -16.053 Base-Backbone interact. energy: -0.193 local terms energy: -27.170410 where: bonds (distance) C4'-P energy: -6.473 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -46.160876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.160876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.160876 (E_RNA) where: Base-Base interactions energy: -17.848 where: short stacking energy: -9.083 Base-Backbone interact. energy: -0.003 local terms energy: -28.310121 where: bonds (distance) C4'-P energy: -5.805 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.281 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: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -41.742051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.742051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.742051 (E_RNA) where: Base-Base interactions energy: -13.052 where: short stacking energy: -12.592 Base-Backbone interact. energy: -0.970 local terms energy: -27.719518 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -37.712182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.712182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.712182 (E_RNA) where: Base-Base interactions energy: -8.520 where: short stacking energy: -8.520 Base-Backbone interact. energy: -0.002 local terms energy: -29.190103 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -2.649 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: 5, replica: 1 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -40.356416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.356416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.356416 (E_RNA) where: Base-Base interactions energy: -11.668 where: short stacking energy: -11.668 Base-Backbone interact. energy: -0.025 local terms energy: -28.663608 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -4.018 flat angles P-C4'-P energy: -5.616 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: 6, replica: 9 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -39.355620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.355620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.355620 (E_RNA) where: Base-Base interactions energy: -10.169 where: short stacking energy: -10.169 Base-Backbone interact. energy: -0.000 local terms energy: -29.186512 where: bonds (distance) C4'-P energy: -5.996 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -6.357 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: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -35.587459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.587459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.587459 (E_RNA) where: Base-Base interactions energy: -8.381 where: short stacking energy: -8.381 Base-Backbone interact. energy: -0.014 local terms energy: -27.192248 where: bonds (distance) C4'-P energy: -5.614 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -33.281626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.281626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.281626 (E_RNA) where: Base-Base interactions energy: -10.817 where: short stacking energy: -10.817 Base-Backbone interact. energy: 1.891 local terms energy: -24.355424 where: bonds (distance) C4'-P energy: -3.918 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -32.825820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.825820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.825820 (E_RNA) where: Base-Base interactions energy: -5.041 where: short stacking energy: -5.041 Base-Backbone interact. energy: -0.004 local terms energy: -27.780668 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -6.377 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: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -32.130147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.130147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.130147 (E_RNA) where: Base-Base interactions energy: -8.068 where: short stacking energy: -8.068 Base-Backbone interact. energy: -0.035 local terms energy: -24.027768 where: bonds (distance) C4'-P energy: -6.074 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -3.980 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: 1, replica: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -52.065401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.065401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.065401 (E_RNA) where: Base-Base interactions energy: -19.963 where: short stacking energy: -19.963 Base-Backbone interact. energy: -0.000 local terms energy: -32.101842 where: bonds (distance) C4'-P energy: -3.888 bonds (distance) P-C4' energy: -6.660 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -8.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -52.593125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.593125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.593125 (E_RNA) where: Base-Base interactions energy: -22.321 where: short stacking energy: -16.467 Base-Backbone interact. energy: -0.112 local terms energy: -30.160045 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -5.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -38.808716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.808716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.808716 (E_RNA) where: Base-Base interactions energy: -10.996 where: short stacking energy: -10.996 Base-Backbone interact. energy: -0.003 local terms energy: -27.809861 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -6.688 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -42.489516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.489516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.489516 (E_RNA) where: Base-Base interactions energy: -13.955 where: short stacking energy: -13.955 Base-Backbone interact. energy: -0.015 local terms energy: -28.520239 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.980 flat angles P-C4'-P energy: -2.484 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -35.176342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.176342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.176342 (E_RNA) where: Base-Base interactions energy: -6.961 where: short stacking energy: -6.961 Base-Backbone interact. energy: -0.403 local terms energy: -27.812337 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -4.832 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: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -37.435917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.435917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.435917 (E_RNA) where: Base-Base interactions energy: -8.373 where: short stacking energy: -8.373 Base-Backbone interact. energy: -0.101 local terms energy: -28.962237 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -0.818 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: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -34.700761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.700761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.700761 (E_RNA) where: Base-Base interactions energy: -8.686 where: short stacking energy: -8.686 Base-Backbone interact. energy: -0.256 local terms energy: -25.758466 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -5.041 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -5.447 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: 8, replica: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -33.058340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.058340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.058340 (E_RNA) where: Base-Base interactions energy: -8.264 where: short stacking energy: -8.264 Base-Backbone interact. energy: -0.000 local terms energy: -24.794393 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -33.142539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.142539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.142539 (E_RNA) where: Base-Base interactions energy: -5.512 where: short stacking energy: -2.864 Base-Backbone interact. energy: -0.093 local terms energy: -27.537612 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -5.828 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: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -32.196436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.196436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.196436 (E_RNA) where: Base-Base interactions energy: -5.161 where: short stacking energy: -5.161 Base-Backbone interact. energy: -0.041 local terms energy: -26.994818 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -48.039677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.039677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.039677 (E_RNA) where: Base-Base interactions energy: -16.390 where: short stacking energy: -16.390 Base-Backbone interact. energy: -0.092 local terms energy: -31.558396 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -7.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -41.862493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.862493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.862493 (E_RNA) where: Base-Base interactions energy: -12.515 where: short stacking energy: -9.287 Base-Backbone interact. energy: -0.004 local terms energy: -29.343402 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -4.540 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: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -48.208840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.208840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.208840 (E_RNA) where: Base-Base interactions energy: -14.229 where: short stacking energy: -14.229 Base-Backbone interact. energy: -0.164 local terms energy: -33.815765 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -5.306 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: 416 Temperature: 1.050000 Total energy: -42.744336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.744336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.744336 (E_RNA) where: Base-Base interactions energy: -10.216 where: short stacking energy: -10.216 Base-Backbone interact. energy: -0.000 local terms energy: -32.528352 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -5.885 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: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -33.998695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.998695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.998695 (E_RNA) where: Base-Base interactions energy: -7.103 where: short stacking energy: -7.103 Base-Backbone interact. energy: -0.001 local terms energy: -26.894379 where: bonds (distance) C4'-P energy: -3.698 bonds (distance) P-C4' energy: -5.718 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -32.865618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.865618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.865618 (E_RNA) where: Base-Base interactions energy: -6.744 where: short stacking energy: -6.744 Base-Backbone interact. energy: -0.064 local terms energy: -26.057564 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -35.230404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.230404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.230404 (E_RNA) where: Base-Base interactions energy: -9.761 where: short stacking energy: -9.761 Base-Backbone interact. energy: -0.123 local terms energy: -25.346246 where: bonds (distance) C4'-P energy: -6.251 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.355 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: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -34.895980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.895980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.895980 (E_RNA) where: Base-Base interactions energy: -6.552 where: short stacking energy: -6.645 Base-Backbone interact. energy: -0.000 local terms energy: -28.343481 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -34.279305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.279305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.279305 (E_RNA) where: Base-Base interactions energy: -7.472 where: short stacking energy: -6.443 Base-Backbone interact. energy: -0.445 local terms energy: -26.361757 where: bonds (distance) C4'-P energy: -6.381 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -3.219 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: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -31.414148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.414148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.414148 (E_RNA) where: Base-Base interactions energy: -12.409 where: short stacking energy: -11.635 Base-Backbone interact. energy: -0.070 local terms energy: -18.934444 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: 3.190 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -42.023970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.023970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.023970 (E_RNA) where: Base-Base interactions energy: -13.156 where: short stacking energy: -13.156 Base-Backbone interact. energy: -0.004 local terms energy: -28.864694 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.228 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -2.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -48.588500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.588500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.588500 (E_RNA) where: Base-Base interactions energy: -17.231 where: short stacking energy: -17.231 Base-Backbone interact. energy: -0.005 local terms energy: -31.353154 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -7.623 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -45.149870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.149870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.149870 (E_RNA) where: Base-Base interactions energy: -12.763 where: short stacking energy: -12.763 Base-Backbone interact. energy: -0.000 local terms energy: -32.386918 where: bonds (distance) C4'-P energy: -6.563 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -4.000 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: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -41.120775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.120775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.120775 (E_RNA) where: Base-Base interactions energy: -14.395 where: short stacking energy: -14.395 Base-Backbone interact. energy: 0.268 local terms energy: -26.994081 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -5.954 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.675 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: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -33.055800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.055800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.055800 (E_RNA) where: Base-Base interactions energy: -8.305 where: short stacking energy: -8.305 Base-Backbone interact. energy: -0.046 local terms energy: -24.704736 where: bonds (distance) C4'-P energy: -4.071 bonds (distance) P-C4' energy: -6.565 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -5.344 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: 6, replica: 10 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -37.576400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.576400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.576400 (E_RNA) where: Base-Base interactions energy: -8.517 where: short stacking energy: -8.517 Base-Backbone interact. energy: -0.001 local terms energy: -29.058140 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -33.716653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.716653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.716653 (E_RNA) where: Base-Base interactions energy: -6.500 where: short stacking energy: -6.500 Base-Backbone interact. energy: -0.018 local terms energy: -27.197734 where: bonds (distance) C4'-P energy: -7.168 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -37.774170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.774170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.774170 (E_RNA) where: Base-Base interactions energy: -8.599 where: short stacking energy: -8.599 Base-Backbone interact. energy: -0.082 local terms energy: -29.093121 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -2.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -37.149705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.149705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.149705 (E_RNA) where: Base-Base interactions energy: -9.386 where: short stacking energy: -9.386 Base-Backbone interact. energy: -0.121 local terms energy: -27.642903 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -6.549 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: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -31.855954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.855954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.855954 (E_RNA) where: Base-Base interactions energy: -5.970 where: short stacking energy: -3.835 Base-Backbone interact. energy: -0.063 local terms energy: -25.823153 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -3.632 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: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -48.794470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.794470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.794470 (E_RNA) where: Base-Base interactions energy: -15.317 where: short stacking energy: -15.317 Base-Backbone interact. energy: -0.000 local terms energy: -33.477579 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -6.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -39.193550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.193550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.193550 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.254 Base-Backbone interact. energy: -0.076 local terms energy: -27.303844 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -5.182 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: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -42.900410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.900410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.900410 (E_RNA) where: Base-Base interactions energy: -17.750 where: short stacking energy: -17.750 Base-Backbone interact. energy: -0.048 local terms energy: -25.102355 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -4.071 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: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -34.538142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.538142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.538142 (E_RNA) where: Base-Base interactions energy: -8.356 where: short stacking energy: -8.356 Base-Backbone interact. energy: -0.019 local terms energy: -26.162998 where: bonds (distance) C4'-P energy: -5.931 bonds (distance) P-C4' energy: -6.880 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -3.986 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: 5, replica: 10 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -39.404417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.404417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.404417 (E_RNA) where: Base-Base interactions energy: -14.179 where: short stacking energy: -14.179 Base-Backbone interact. energy: -0.226 local terms energy: -24.999487 where: bonds (distance) C4'-P energy: -4.575 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -5.090 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: 6, replica: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -40.376770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.376770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.376770 (E_RNA) where: Base-Base interactions energy: -12.194 where: short stacking energy: -12.194 Base-Backbone interact. energy: -0.035 local terms energy: -28.147958 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -40.652268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.652268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.652268 (E_RNA) where: Base-Base interactions energy: -12.277 where: short stacking energy: -10.190 Base-Backbone interact. energy: -0.000 local terms energy: -28.374753 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -32.833937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.833937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.833937 (E_RNA) where: Base-Base interactions energy: -10.860 where: short stacking energy: -10.860 Base-Backbone interact. energy: -0.014 local terms energy: -21.959639 where: bonds (distance) C4'-P energy: -4.662 bonds (distance) P-C4' energy: -5.264 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -4.847 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: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -35.315969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.315969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.315969 (E_RNA) where: Base-Base interactions energy: -7.452 where: short stacking energy: -7.452 Base-Backbone interact. energy: -0.062 local terms energy: -27.802166 where: bonds (distance) C4'-P energy: -5.259 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -5.972 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: 10, replica: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -30.697008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.697008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.697008 (E_RNA) where: Base-Base interactions energy: -9.847 where: short stacking energy: -7.788 Base-Backbone interact. energy: -0.005 local terms energy: -20.844532 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -6.534 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: 0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -51.054204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.054204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.054204 (E_RNA) where: Base-Base interactions energy: -22.363 where: short stacking energy: -22.363 Base-Backbone interact. energy: -0.000 local terms energy: -28.691067 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -2.253 tors. eta vs tors. theta energy: -5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -43.468984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.468984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.468984 (E_RNA) where: Base-Base interactions energy: -13.415 where: short stacking energy: -13.415 Base-Backbone interact. energy: -0.000 local terms energy: -30.053840 where: bonds (distance) C4'-P energy: -6.083 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -43.858645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.858645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.858645 (E_RNA) where: Base-Base interactions energy: -10.524 where: short stacking energy: -10.524 Base-Backbone interact. energy: -0.923 local terms energy: -32.411646 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -46.138930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.138930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.138930 (E_RNA) where: Base-Base interactions energy: -15.259 where: short stacking energy: -15.259 Base-Backbone interact. energy: -0.001 local terms energy: -30.879867 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -36.891345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.891345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.891345 (E_RNA) where: Base-Base interactions energy: -9.127 where: short stacking energy: -9.127 Base-Backbone interact. energy: -0.009 local terms energy: -27.755837 where: bonds (distance) C4'-P energy: -6.215 bonds (distance) P-C4' energy: -6.638 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -35.282369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.282369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.282369 (E_RNA) where: Base-Base interactions energy: -7.394 where: short stacking energy: -7.394 Base-Backbone interact. energy: -0.001 local terms energy: -27.887320 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -34.298167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.298167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.298167 (E_RNA) where: Base-Base interactions energy: -7.640 where: short stacking energy: -7.640 Base-Backbone interact. energy: -0.076 local terms energy: -26.581672 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -4.248 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: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -32.515317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.515317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.515317 (E_RNA) where: Base-Base interactions energy: -9.413 where: short stacking energy: -9.413 Base-Backbone interact. energy: -0.000 local terms energy: -23.102251 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -0.678 flat angles P-C4'-P energy: -4.179 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: 9, replica: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -32.825475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.825475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.825475 (E_RNA) where: Base-Base interactions energy: -6.233 where: short stacking energy: -5.745 Base-Backbone interact. energy: -0.029 local terms energy: -26.563238 where: bonds (distance) C4'-P energy: -4.721 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -3.308 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: 10, replica: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -35.616653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.616653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.616653 (E_RNA) where: Base-Base interactions energy: -8.439 where: short stacking energy: -8.439 Base-Backbone interact. energy: -0.001 local terms energy: -27.176451 where: bonds (distance) C4'-P energy: -7.222 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -42.648442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.648442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.648442 (E_RNA) where: Base-Base interactions energy: -14.030 where: short stacking energy: -14.030 Base-Backbone interact. energy: -0.060 local terms energy: -28.558627 where: bonds (distance) C4'-P energy: -6.641 bonds (distance) P-C4' energy: -5.546 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -5.549 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: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -47.928800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.928800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.928800 (E_RNA) where: Base-Base interactions energy: -17.458 where: short stacking energy: -17.458 Base-Backbone interact. energy: -0.067 local terms energy: -30.403792 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -2.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -43.577048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.577048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.577048 (E_RNA) where: Base-Base interactions energy: -15.360 where: short stacking energy: -15.360 Base-Backbone interact. energy: -0.086 local terms energy: -28.131576 where: bonds (distance) C4'-P energy: -6.223 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -5.844 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: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -37.903337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.903337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.903337 (E_RNA) where: Base-Base interactions energy: -11.378 where: short stacking energy: -8.686 Base-Backbone interact. energy: -0.003 local terms energy: -26.522040 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -1.168 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: 420 Temperature: 1.100000 Total energy: -40.112944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.112944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.112944 (E_RNA) where: Base-Base interactions energy: -10.722 where: short stacking energy: -10.722 Base-Backbone interact. energy: -0.000 local terms energy: -29.390494 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -4.312 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: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -36.927215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.927215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.927215 (E_RNA) where: Base-Base interactions energy: -14.341 where: short stacking energy: -14.121 Base-Backbone interact. energy: -0.088 local terms energy: -22.497353 where: bonds (distance) C4'-P energy: -6.236 bonds (distance) P-C4' energy: -4.644 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -4.102 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: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -29.700758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.700758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.700758 (E_RNA) where: Base-Base interactions energy: -3.881 where: short stacking energy: -3.881 Base-Backbone interact. energy: -0.022 local terms energy: -25.797649 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -4.497 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: 8, replica: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -32.415726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.415726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.415726 (E_RNA) where: Base-Base interactions energy: -9.312 where: short stacking energy: -9.312 Base-Backbone interact. energy: -0.125 local terms energy: -22.978720 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -30.054974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.054974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.054974 (E_RNA) where: Base-Base interactions energy: -8.553 where: short stacking energy: -8.553 Base-Backbone interact. energy: -0.001 local terms energy: -21.501104 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -1.020 tors. eta vs tors. theta energy: -0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -35.384061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.384061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.384061 (E_RNA) where: Base-Base interactions energy: -9.980 where: short stacking energy: -9.980 Base-Backbone interact. energy: -0.000 local terms energy: -25.403593 where: bonds (distance) C4'-P energy: -3.474 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -48.834531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.834531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.834531 (E_RNA) where: Base-Base interactions energy: -17.609 where: short stacking energy: -17.609 Base-Backbone interact. energy: 0.186 local terms energy: -31.411558 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -42.646153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.646153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.646153 (E_RNA) where: Base-Base interactions energy: -9.478 where: short stacking energy: -9.684 Base-Backbone interact. energy: -0.017 local terms energy: -33.151007 where: bonds (distance) C4'-P energy: -6.928 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -43.100946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.100946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.100946 (E_RNA) where: Base-Base interactions energy: -13.937 where: short stacking energy: -13.937 Base-Backbone interact. energy: -0.010 local terms energy: -29.153035 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -4.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -41.036043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.036043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.036043 (E_RNA) where: Base-Base interactions energy: -11.738 where: short stacking energy: -11.738 Base-Backbone interact. energy: -0.009 local terms energy: -29.289299 where: bonds (distance) C4'-P energy: -6.902 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -5.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -30.995399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.995399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.995399 (E_RNA) where: Base-Base interactions energy: -3.742 where: short stacking energy: -3.742 Base-Backbone interact. energy: -0.051 local terms energy: -27.202313 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -4.261 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: 6, replica: 7 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -34.907951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.907951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.907951 (E_RNA) where: Base-Base interactions energy: -10.428 where: short stacking energy: -10.428 Base-Backbone interact. energy: -0.097 local terms energy: -24.383515 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -0.680 tors. eta vs tors. theta energy: -5.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -31.555402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.555402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.555402 (E_RNA) where: Base-Base interactions energy: -7.519 where: short stacking energy: -7.519 Base-Backbone interact. energy: -0.641 local terms energy: -23.395049 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -5.776 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -3.886 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: 8, replica: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -35.234248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.234248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.234248 (E_RNA) where: Base-Base interactions energy: -7.271 where: short stacking energy: -7.271 Base-Backbone interact. energy: -0.105 local terms energy: -27.858731 where: bonds (distance) C4'-P energy: -6.907 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -6.112 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: 9, replica: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -32.142670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.142670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.142670 (E_RNA) where: Base-Base interactions energy: -6.944 where: short stacking energy: -5.820 Base-Backbone interact. energy: -0.450 local terms energy: -24.747962 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -4.347 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: 5 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -32.020142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.020142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.020142 (E_RNA) where: Base-Base interactions energy: -7.828 where: short stacking energy: -7.828 Base-Backbone interact. energy: -0.000 local terms energy: -24.191923 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -2.445 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: 1, replica: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -45.144067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.144067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.144067 (E_RNA) where: Base-Base interactions energy: -15.266 where: short stacking energy: -15.266 Base-Backbone interact. energy: -0.000 local terms energy: -29.877842 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -47.268485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.268485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.268485 (E_RNA) where: Base-Base interactions energy: -15.963 where: short stacking energy: -15.963 Base-Backbone interact. energy: -0.049 local terms energy: -31.255685 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -39.210589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.210589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.210589 (E_RNA) where: Base-Base interactions energy: -11.779 where: short stacking energy: -11.779 Base-Backbone interact. energy: -0.078 local terms energy: -27.353453 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -7.245 tors. eta vs tors. theta energy: 2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -37.066455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.066455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.066455 (E_RNA) where: Base-Base interactions energy: -11.561 where: short stacking energy: -11.561 Base-Backbone interact. energy: -0.036 local terms energy: -25.468892 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -42.007207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.007207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.007207 (E_RNA) where: Base-Base interactions energy: -14.368 where: short stacking energy: -14.368 Base-Backbone interact. energy: -0.002 local terms energy: -27.636392 where: bonds (distance) C4'-P energy: -5.867 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -37.836796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.836796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.836796 (E_RNA) where: Base-Base interactions energy: -6.883 where: short stacking energy: -6.883 Base-Backbone interact. energy: -0.001 local terms energy: -30.953036 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 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: -10.618 where: short stacking energy: -10.618 Base-Backbone interact. energy: 0.648 local terms energy: -22.847951 where: bonds (distance) C4'-P energy: -4.849 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -0.051 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: 8, replica: 9 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -33.893933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.893933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.893933 (E_RNA) where: Base-Base interactions energy: -7.462 where: short stacking energy: -7.462 Base-Backbone interact. energy: -0.005 local terms energy: -26.426768 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -3.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -34.756092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.756092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.756092 (E_RNA) where: Base-Base interactions energy: -6.868 where: short stacking energy: -5.072 Base-Backbone interact. energy: -0.006 local terms energy: -27.881294 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -1.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -33.806415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.806415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.806415 (E_RNA) where: Base-Base interactions energy: -5.991 where: short stacking energy: -5.991 Base-Backbone interact. energy: -0.948 local terms energy: -26.867912 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -5.606 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: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -53.019888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.019888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.019888 (E_RNA) where: Base-Base interactions energy: -17.138 where: short stacking energy: -17.138 Base-Backbone interact. energy: -0.000 local terms energy: -35.881943 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -6.459 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: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -42.855243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.855243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.855243 (E_RNA) where: Base-Base interactions energy: -8.625 where: short stacking energy: -8.625 Base-Backbone interact. energy: -0.053 local terms energy: -34.177542 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -7.156 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: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -47.358410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.358410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.358410 (E_RNA) where: Base-Base interactions energy: -14.522 where: short stacking energy: -14.522 Base-Backbone interact. energy: -0.000 local terms energy: -32.836471 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -4.948 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: 4, replica: 7 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -43.157581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.157581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.157581 (E_RNA) where: Base-Base interactions energy: -14.848 where: short stacking energy: -14.848 Base-Backbone interact. energy: -0.000 local terms energy: -28.309690 where: bonds (distance) C4'-P energy: -4.203 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -2.947 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: 5, replica: 1 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -39.557783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.557783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.557783 (E_RNA) where: Base-Base interactions energy: -15.907 where: short stacking energy: -15.907 Base-Backbone interact. energy: -0.055 local terms energy: -23.596368 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -3.866 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: 6, replica: 6 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -29.842419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.842419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.842419 (E_RNA) where: Base-Base interactions energy: -3.616 where: short stacking energy: -3.616 Base-Backbone interact. energy: -0.176 local terms energy: -26.050890 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.278 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: 7, replica: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -42.425617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.425617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.425617 (E_RNA) where: Base-Base interactions energy: -14.867 where: short stacking energy: -14.867 Base-Backbone interact. energy: -0.007 local terms energy: -27.551648 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -5.138 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -1.461 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -33.127931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.127931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.127931 (E_RNA) where: Base-Base interactions energy: -7.427 where: short stacking energy: -7.427 Base-Backbone interact. energy: -0.310 local terms energy: -25.390402 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -3.166 flat angles P-C4'-P energy: -3.702 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: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -36.885223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.885223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.885223 (E_RNA) where: Base-Base interactions energy: -6.821 where: short stacking energy: -6.821 Base-Backbone interact. energy: -0.025 local terms energy: -30.038415 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -30.817346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.817346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.817346 (E_RNA) where: Base-Base interactions energy: -6.352 where: short stacking energy: -6.352 Base-Backbone interact. energy: -1.027 local terms energy: -23.438764 where: bonds (distance) C4'-P energy: -5.763 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -1.905 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -42.026926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.026926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.026926 (E_RNA) where: Base-Base interactions energy: -10.280 where: short stacking energy: -10.280 Base-Backbone interact. energy: -0.051 local terms energy: -31.696404 where: bonds (distance) C4'-P energy: -7.284 bonds (distance) P-C4' energy: -7.228 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -4.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -41.960796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.960796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.960796 (E_RNA) where: Base-Base interactions energy: -11.632 where: short stacking energy: -11.632 Base-Backbone interact. energy: -0.019 local terms energy: -30.310406 where: bonds (distance) C4'-P energy: -6.305 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -5.425 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: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -37.224428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.224428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.224428 (E_RNA) where: Base-Base interactions energy: -9.919 where: short stacking energy: -9.919 Base-Backbone interact. energy: -0.000 local terms energy: -27.305436 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -6.932 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -40.384531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.384531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.384531 (E_RNA) where: Base-Base interactions energy: -10.010 where: short stacking energy: -10.010 Base-Backbone interact. energy: -0.070 local terms energy: -30.304379 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -6.604 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -33.204112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.204112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.204112 (E_RNA) where: Base-Base interactions energy: -7.344 where: short stacking energy: -7.344 Base-Backbone interact. energy: -0.041 local terms energy: -25.819080 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.410 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -35.553237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.553237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.553237 (E_RNA) where: Base-Base interactions energy: -8.419 where: short stacking energy: -8.419 Base-Backbone interact. energy: -0.039 local terms energy: -27.095438 where: bonds (distance) C4'-P energy: -6.513 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: -1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -35.056646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.056646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.056646 (E_RNA) where: Base-Base interactions energy: -7.418 where: short stacking energy: -7.418 Base-Backbone interact. energy: -0.004 local terms energy: -27.633905 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -5.219 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: 8, replica: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -34.902028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.902028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.902028 (E_RNA) where: Base-Base interactions energy: -6.804 where: short stacking energy: -6.804 Base-Backbone interact. energy: -0.176 local terms energy: -27.921378 where: bonds (distance) C4'-P energy: -7.995 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -32.699552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.699552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.699552 (E_RNA) where: Base-Base interactions energy: -4.911 where: short stacking energy: -4.911 Base-Backbone interact. energy: -0.033 local terms energy: -27.755214 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -5.301 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: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -31.583431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.583431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.583431 (E_RNA) where: Base-Base interactions energy: -5.093 where: short stacking energy: -5.093 Base-Backbone interact. energy: -0.007 local terms energy: -26.483265 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -5.793 tors. eta vs tors. theta energy: -0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -48.822933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.822933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.822933 (E_RNA) where: Base-Base interactions energy: -15.016 where: short stacking energy: -15.016 Base-Backbone interact. energy: -0.090 local terms energy: -33.717311 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.755 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -6.078 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: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -43.211081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.211081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.211081 (E_RNA) where: Base-Base interactions energy: -12.394 where: short stacking energy: -12.394 Base-Backbone interact. energy: -0.248 local terms energy: -30.568975 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -43.011428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.011428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.011428 (E_RNA) where: Base-Base interactions energy: -15.290 where: short stacking energy: -15.290 Base-Backbone interact. energy: -0.000 local terms energy: -27.720882 where: bonds (distance) C4'-P energy: -6.327 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -5.748 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: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -37.518084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.518084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.518084 (E_RNA) where: Base-Base interactions energy: -9.612 where: short stacking energy: -8.817 Base-Backbone interact. energy: -0.012 local terms energy: -27.894349 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -3.933 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: 5, replica: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -36.747016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.747016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.747016 (E_RNA) where: Base-Base interactions energy: -10.117 where: short stacking energy: -10.117 Base-Backbone interact. energy: -0.044 local terms energy: -26.585691 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.376 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -33.511758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.511758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.511758 (E_RNA) where: Base-Base interactions energy: -11.396 where: short stacking energy: -11.396 Base-Backbone interact. energy: -0.002 local terms energy: -22.114009 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -5.989 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -0.326 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -43.807365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.807365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.807365 (E_RNA) where: Base-Base interactions energy: -15.923 where: short stacking energy: -15.923 Base-Backbone interact. energy: -0.000 local terms energy: -27.884313 where: bonds (distance) C4'-P energy: -5.370 bonds (distance) P-C4' energy: -6.997 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -5.442 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: 8, replica: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -37.983727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.983727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.983727 (E_RNA) where: Base-Base interactions energy: -11.168 where: short stacking energy: -11.168 Base-Backbone interact. energy: -0.000 local terms energy: -26.815836 where: bonds (distance) C4'-P energy: -7.850 bonds (distance) P-C4' energy: -4.031 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -5.542 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: 9, replica: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -32.655262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.655262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.655262 (E_RNA) where: Base-Base interactions energy: -9.942 where: short stacking energy: -9.942 Base-Backbone interact. energy: -0.002 local terms energy: -22.710900 where: bonds (distance) C4'-P energy: -5.810 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -28.286215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.286215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.286215 (E_RNA) where: Base-Base interactions energy: -5.897 where: short stacking energy: -5.897 Base-Backbone interact. energy: -0.000 local terms energy: -22.388921 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -3.062 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -1.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -43.491748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.491748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.491748 (E_RNA) where: Base-Base interactions energy: -12.108 where: short stacking energy: -12.108 Base-Backbone interact. energy: -0.387 local terms energy: -30.997342 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -8.913 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -5.936 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: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -47.550057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.550057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.550057 (E_RNA) where: Base-Base interactions energy: -14.027 where: short stacking energy: -14.027 Base-Backbone interact. energy: -0.000 local terms energy: -33.523036 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -6.046 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -7.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -45.863267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.863267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.863267 (E_RNA) where: Base-Base interactions energy: -13.749 where: short stacking energy: -13.749 Base-Backbone interact. energy: -0.728 local terms energy: -31.385609 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -38.043324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.043324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.043324 (E_RNA) where: Base-Base interactions energy: -13.790 where: short stacking energy: -13.790 Base-Backbone interact. energy: -0.001 local terms energy: -24.252044 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -5.663 flat angles C4'-P-C4' energy: -2.790 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: -6.632 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: 5, replica: 5 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -35.503539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.503539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.503539 (E_RNA) where: Base-Base interactions energy: -8.756 where: short stacking energy: -5.463 Base-Backbone interact. energy: -0.089 local terms energy: -26.659089 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -32.739091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.739091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.739091 (E_RNA) where: Base-Base interactions energy: -6.985 where: short stacking energy: -6.985 Base-Backbone interact. energy: -0.015 local terms energy: -25.739929 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.556 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -37.510126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.510126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.510126 (E_RNA) where: Base-Base interactions energy: -11.925 where: short stacking energy: -11.925 Base-Backbone interact. energy: -0.000 local terms energy: -25.585495 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -3.719 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: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -33.244509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.244509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.244509 (E_RNA) where: Base-Base interactions energy: -8.069 where: short stacking energy: -8.069 Base-Backbone interact. energy: -0.099 local terms energy: -25.075939 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -0.248 tors. eta vs tors. theta energy: -3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -31.049794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.049794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.049794 (E_RNA) where: Base-Base interactions energy: -9.789 where: short stacking energy: -9.789 Base-Backbone interact. energy: -0.056 local terms energy: -21.204265 where: bonds (distance) C4'-P energy: -3.238 bonds (distance) P-C4' energy: -7.448 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -2.616 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: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -33.863929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.863929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.863929 (E_RNA) where: Base-Base interactions energy: -6.351 where: short stacking energy: -6.351 Base-Backbone interact. energy: -1.017 local terms energy: -26.495594 where: bonds (distance) C4'-P energy: -6.314 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -4.288 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: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -45.136733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.136733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.136733 (E_RNA) where: Base-Base interactions energy: -16.214 where: short stacking energy: -15.603 Base-Backbone interact. energy: -0.000 local terms energy: -28.922908 where: bonds (distance) C4'-P energy: -6.546 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -5.423 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: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -51.476222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.476222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.476222 (E_RNA) where: Base-Base interactions energy: -20.635 where: short stacking energy: -20.635 Base-Backbone interact. energy: -0.000 local terms energy: -30.841094 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -1.401 tors. eta vs tors. theta energy: -6.099 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: 7 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -43.261755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.261755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.261755 (E_RNA) where: Base-Base interactions energy: -14.867 where: short stacking energy: -7.904 Base-Backbone interact. energy: -0.041 local terms energy: -28.354368 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.376 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -5.638 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: 4, replica: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -44.232771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.232771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.232771 (E_RNA) where: Base-Base interactions energy: -14.986 where: short stacking energy: -14.986 Base-Backbone interact. energy: -0.024 local terms energy: -29.222286 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -38.152195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.152195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.152195 (E_RNA) where: Base-Base interactions energy: -13.030 where: short stacking energy: -13.030 Base-Backbone interact. energy: -0.022 local terms energy: -25.100295 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -3.905 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: 6, replica: 2 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -37.832315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.832315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.832315 (E_RNA) where: Base-Base interactions energy: -10.669 where: short stacking energy: -10.669 Base-Backbone interact. energy: -0.081 local terms energy: -27.082914 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -5.562 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: 7, replica: 8 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -31.929961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.929961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.929961 (E_RNA) where: Base-Base interactions energy: -5.927 where: short stacking energy: -5.927 Base-Backbone interact. energy: -0.019 local terms energy: -25.983954 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.460 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -5.822 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: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -37.889523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.889523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.889523 (E_RNA) where: Base-Base interactions energy: -11.134 where: short stacking energy: -11.134 Base-Backbone interact. energy: -0.048 local terms energy: -26.706631 where: bonds (distance) C4'-P energy: -3.855 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -28.712532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.712532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.712532 (E_RNA) where: Base-Base interactions energy: -4.240 where: short stacking energy: -4.240 Base-Backbone interact. energy: -0.013 local terms energy: -24.459850 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -1.478 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -27.961417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.961417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.961417 (E_RNA) where: Base-Base interactions energy: -5.495 where: short stacking energy: -5.495 Base-Backbone interact. energy: -0.001 local terms energy: -22.465612 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.372 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: 1, replica: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -39.273513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.273513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.273513 (E_RNA) where: Base-Base interactions energy: -10.999 where: short stacking energy: -7.851 Base-Backbone interact. energy: -0.644 local terms energy: -27.629893 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -4.899 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: 2, replica: 3 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -47.555927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.555927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.555927 (E_RNA) where: Base-Base interactions energy: -15.850 where: short stacking energy: -15.850 Base-Backbone interact. energy: -0.511 local terms energy: -31.194933 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -7.473 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -6.837 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: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -44.106827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.106827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.106827 (E_RNA) where: Base-Base interactions energy: -14.384 where: short stacking energy: -14.384 Base-Backbone interact. energy: -0.001 local terms energy: -29.721385 where: bonds (distance) C4'-P energy: -7.168 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -3.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -40.090548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.090548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.090548 (E_RNA) where: Base-Base interactions energy: -10.904 where: short stacking energy: -10.904 Base-Backbone interact. energy: -0.037 local terms energy: -29.149167 where: bonds (distance) C4'-P energy: -5.846 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -4.172 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: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -44.252788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.252788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.252788 (E_RNA) where: Base-Base interactions energy: -16.554 where: short stacking energy: -16.554 Base-Backbone interact. energy: -0.005 local terms energy: -27.694152 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -5.400 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: 6, replica: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -33.496817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.496817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.496817 (E_RNA) where: Base-Base interactions energy: -7.147 where: short stacking energy: -7.147 Base-Backbone interact. energy: -0.105 local terms energy: -26.244707 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: 0.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -33.435289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.435289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.435289 (E_RNA) where: Base-Base interactions energy: -10.314 where: short stacking energy: -10.314 Base-Backbone interact. energy: -0.193 local terms energy: -22.928056 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -1.622 flat angles P-C4'-P energy: -5.025 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: 8, replica: 8 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -33.111356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.111356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.111356 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.088 local terms energy: -22.598157 where: bonds (distance) C4'-P energy: -4.468 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -4.184 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: 9, replica: 4 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -33.639417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.639417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.639417 (E_RNA) where: Base-Base interactions energy: -3.194 where: short stacking energy: -3.113 Base-Backbone interact. energy: -0.020 local terms energy: -30.425874 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -4.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -33.500398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.500398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.500398 (E_RNA) where: Base-Base interactions energy: -4.405 where: short stacking energy: -4.405 Base-Backbone interact. energy: -0.000 local terms energy: -29.095201 where: bonds (distance) C4'-P energy: -5.958 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -40.934941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.934941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.934941 (E_RNA) where: Base-Base interactions energy: -9.354 where: short stacking energy: -7.763 Base-Backbone interact. energy: -0.149 local terms energy: -31.431719 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -6.758 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -39.671255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.671255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.671255 (E_RNA) where: Base-Base interactions energy: -11.182 where: short stacking energy: -11.182 Base-Backbone interact. energy: -0.287 local terms energy: -28.202416 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -3.891 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: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -43.137988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.137988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.137988 (E_RNA) where: Base-Base interactions energy: -14.167 where: short stacking energy: -14.167 Base-Backbone interact. energy: -0.003 local terms energy: -28.968625 where: bonds (distance) C4'-P energy: -6.252 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -42.172708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.172708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.172708 (E_RNA) where: Base-Base interactions energy: -15.165 where: short stacking energy: -15.165 Base-Backbone interact. energy: -0.095 local terms energy: -26.912808 where: bonds (distance) C4'-P energy: -6.775 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -34.674407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.674407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.674407 (E_RNA) where: Base-Base interactions energy: -9.348 where: short stacking energy: -9.348 Base-Backbone interact. energy: -0.132 local terms energy: -25.194458 where: bonds (distance) C4'-P energy: -6.990 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: 0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -39.241244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.241244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.241244 (E_RNA) where: Base-Base interactions energy: -11.481 where: short stacking energy: -11.481 Base-Backbone interact. energy: -0.000 local terms energy: -27.760575 where: bonds (distance) C4'-P energy: -6.182 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -2.579 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -33.656709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.656709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.656709 (E_RNA) where: Base-Base interactions energy: -9.462 where: short stacking energy: -9.462 Base-Backbone interact. energy: -0.002 local terms energy: -24.192901 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -2.124 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: 8, replica: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -36.294142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.294142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.294142 (E_RNA) where: Base-Base interactions energy: -11.424 where: short stacking energy: -11.424 Base-Backbone interact. energy: -0.000 local terms energy: -24.869319 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -34.372587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.372587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.372587 (E_RNA) where: Base-Base interactions energy: -8.171 where: short stacking energy: -8.171 Base-Backbone interact. energy: -0.049 local terms energy: -26.152557 where: bonds (distance) C4'-P energy: -5.073 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -29.351643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.351643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.351643 (E_RNA) where: Base-Base interactions energy: -9.278 where: short stacking energy: -9.278 Base-Backbone interact. energy: -0.008 local terms energy: -20.065237 where: bonds (distance) C4'-P energy: -4.377 bonds (distance) P-C4' energy: -7.224 flat angles C4'-P-C4' energy: -2.251 flat angles P-C4'-P energy: -4.155 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: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -43.756716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.756716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.756716 (E_RNA) where: Base-Base interactions energy: -14.619 where: short stacking energy: -14.619 Base-Backbone interact. energy: -0.010 local terms energy: -29.127188 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -4.516 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: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -43.213563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.213563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.213563 (E_RNA) where: Base-Base interactions energy: -13.920 where: short stacking energy: -13.920 Base-Backbone interact. energy: -0.353 local terms energy: -28.940883 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -4.912 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: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -45.308090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.308090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.308090 (E_RNA) where: Base-Base interactions energy: -17.003 where: short stacking energy: -17.003 Base-Backbone interact. energy: -0.084 local terms energy: -28.220445 where: bonds (distance) C4'-P energy: -7.416 bonds (distance) P-C4' energy: -5.715 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -5.210 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: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -36.676465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.676465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.676465 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.078 local terms energy: -27.446472 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -5.920 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: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -41.180122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.180122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.180122 (E_RNA) where: Base-Base interactions energy: -11.670 where: short stacking energy: -11.670 Base-Backbone interact. energy: -0.004 local terms energy: -29.506509 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -4.974 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: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -43.487817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.487817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.487817 (E_RNA) where: Base-Base interactions energy: -18.342 where: short stacking energy: -18.342 Base-Backbone interact. energy: -0.001 local terms energy: -25.145206 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -5.396 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -3.892 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: 7, replica: 8 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -35.576629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.576629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.576629 (E_RNA) where: Base-Base interactions energy: -7.570 where: short stacking energy: -7.570 Base-Backbone interact. energy: -0.100 local terms energy: -27.906811 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -5.242 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: 8, replica: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -42.677397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.677397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.677397 (E_RNA) where: Base-Base interactions energy: -16.190 where: short stacking energy: -16.190 Base-Backbone interact. energy: -0.074 local terms energy: -26.413268 where: bonds (distance) C4'-P energy: -7.254 bonds (distance) P-C4' energy: -5.396 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -30.997325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.997325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.997325 (E_RNA) where: Base-Base interactions energy: -8.357 where: short stacking energy: -8.357 Base-Backbone interact. energy: -0.086 local terms energy: -22.554743 where: bonds (distance) C4'-P energy: -4.799 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: 0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -30.863293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.863293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.863293 (E_RNA) where: Base-Base interactions energy: -8.871 where: short stacking energy: -8.871 Base-Backbone interact. energy: -0.140 local terms energy: -21.851974 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -4.624 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: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -43.486015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.486015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.486015 (E_RNA) where: Base-Base interactions energy: -14.427 where: short stacking energy: -14.427 Base-Backbone interact. energy: -0.017 local terms energy: -29.042021 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -41.049110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.049110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.049110 (E_RNA) where: Base-Base interactions energy: -12.321 where: short stacking energy: -12.321 Base-Backbone interact. energy: -0.002 local terms energy: -28.725457 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -3.060 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: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -37.280626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.280626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.280626 (E_RNA) where: Base-Base interactions energy: -8.214 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.000 local terms energy: -29.066131 where: bonds (distance) C4'-P energy: -7.138 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -6.539 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: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -40.882553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.882553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.882553 (E_RNA) where: Base-Base interactions energy: -13.410 where: short stacking energy: -13.410 Base-Backbone interact. energy: -0.113 local terms energy: -27.359534 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -5.339 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: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -35.372885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.372885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.372885 (E_RNA) where: Base-Base interactions energy: -9.594 where: short stacking energy: -9.594 Base-Backbone interact. energy: -0.069 local terms energy: -25.709197 where: bonds (distance) C4'-P energy: -4.211 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -4.328 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: 6, replica: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -33.573811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.573811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.573811 (E_RNA) where: Base-Base interactions energy: -6.736 where: short stacking energy: -6.736 Base-Backbone interact. energy: -0.037 local terms energy: -26.800414 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -4.758 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: 7, replica: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -33.552384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.552384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.552384 (E_RNA) where: Base-Base interactions energy: -8.622 where: short stacking energy: -8.622 Base-Backbone interact. energy: -0.081 local terms energy: -24.850237 where: bonds (distance) C4'-P energy: -5.789 bonds (distance) P-C4' energy: -4.634 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -4.102 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: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -32.615441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.615441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.615441 (E_RNA) where: Base-Base interactions energy: -8.412 where: short stacking energy: -8.412 Base-Backbone interact. energy: -0.069 local terms energy: -24.134768 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -3.107 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: 9, replica: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -33.131418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.131418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.131418 (E_RNA) where: Base-Base interactions energy: -7.064 where: short stacking energy: -7.064 Base-Backbone interact. energy: 0.407 local terms energy: -26.473936 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -6.604 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -3.559 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: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -30.797111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.797111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.797111 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: -0.040 local terms energy: -22.833616 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -2.363 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: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -42.924708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.924708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.924708 (E_RNA) where: Base-Base interactions energy: -11.772 where: short stacking energy: -11.772 Base-Backbone interact. energy: 0.856 local terms energy: -32.009469 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -6.911 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: 2, replica: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -39.528502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.528502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.528502 (E_RNA) where: Base-Base interactions energy: -11.255 where: short stacking energy: -9.497 Base-Backbone interact. energy: -0.002 local terms energy: -28.271632 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -44.172610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.172610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.172610 (E_RNA) where: Base-Base interactions energy: -13.460 where: short stacking energy: -13.460 Base-Backbone interact. energy: -0.087 local terms energy: -30.625588 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -5.878 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: 5 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -41.643664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.643664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.643664 (E_RNA) where: Base-Base interactions energy: -12.496 where: short stacking energy: -12.496 Base-Backbone interact. energy: -0.000 local terms energy: -29.147200 where: bonds (distance) C4'-P energy: -5.673 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -4.758 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: 5, replica: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -39.479002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.479002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.479002 (E_RNA) where: Base-Base interactions energy: -14.900 where: short stacking energy: -14.900 Base-Backbone interact. energy: -0.100 local terms energy: -24.479468 where: bonds (distance) C4'-P energy: -5.817 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -4.260 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: 432 Temperature: 1.150000 Total energy: -35.421843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.421843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.421843 (E_RNA) where: Base-Base interactions energy: -7.178 where: short stacking energy: -7.178 Base-Backbone interact. energy: -0.000 local terms energy: -28.243521 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -5.284 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: 432 Temperature: 1.200000 Total energy: -33.255505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.255505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.255505 (E_RNA) where: Base-Base interactions energy: -8.958 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.098 local terms energy: -24.198917 where: bonds (distance) C4'-P energy: -5.105 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -3.424 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: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -37.028821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.028821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.028821 (E_RNA) where: Base-Base interactions energy: -8.991 where: short stacking energy: -8.991 Base-Backbone interact. energy: -0.045 local terms energy: -27.993524 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -4.484 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: 9, replica: 4 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -39.005880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.005880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.005880 (E_RNA) where: Base-Base interactions energy: -10.357 where: short stacking energy: -10.357 Base-Backbone interact. energy: -0.060 local terms energy: -28.588897 where: bonds (distance) C4'-P energy: -5.300 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -4.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -36.002978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.002978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.002978 (E_RNA) where: Base-Base interactions energy: -7.019 where: short stacking energy: -7.019 Base-Backbone interact. energy: -0.013 local terms energy: -28.970284 where: bonds (distance) C4'-P energy: -5.756 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -4.748 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -46.787385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.787385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.787385 (E_RNA) where: Base-Base interactions energy: -12.676 where: short stacking energy: -12.676 Base-Backbone interact. energy: -0.000 local terms energy: -34.111019 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -5.512 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: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -49.963419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.963419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.963419 (E_RNA) where: Base-Base interactions energy: -16.857 where: short stacking energy: -16.857 Base-Backbone interact. energy: -0.000 local terms energy: -33.106180 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -6.843 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: 433 Temperature: 1.000000 Total energy: -40.465141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.465141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.465141 (E_RNA) where: Base-Base interactions energy: -11.136 where: short stacking energy: -11.136 Base-Backbone interact. energy: -0.026 local terms energy: -29.303108 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -6.973 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -6.064 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: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -40.817136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.817136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.817136 (E_RNA) where: Base-Base interactions energy: -11.087 where: short stacking energy: -11.270 Base-Backbone interact. energy: -0.040 local terms energy: -29.689729 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -6.133 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: 5 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -34.010167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.010167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.010167 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.146 local terms energy: -26.556742 where: bonds (distance) C4'-P energy: -5.913 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.961 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: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -37.483877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.483877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.483877 (E_RNA) where: Base-Base interactions energy: -9.399 where: short stacking energy: -9.399 Base-Backbone interact. energy: -0.085 local terms energy: -28.000217 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -7.193 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -6.419 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: 7, replica: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -35.844627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.844627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.844627 (E_RNA) where: Base-Base interactions energy: -11.050 where: short stacking energy: -11.050 Base-Backbone interact. energy: -0.076 local terms energy: -24.718628 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -1.004 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: 8, replica: 4 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -38.884229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.884229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.884229 (E_RNA) where: Base-Base interactions energy: -11.569 where: short stacking energy: -10.021 Base-Backbone interact. energy: -0.075 local terms energy: -27.239895 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -4.334 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: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -33.175779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.175779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.175779 (E_RNA) where: Base-Base interactions energy: -7.057 where: short stacking energy: -7.057 Base-Backbone interact. energy: -0.189 local terms energy: -25.930047 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -4.144 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: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -29.353029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.353029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.353029 (E_RNA) where: Base-Base interactions energy: -7.324 where: short stacking energy: -7.324 Base-Backbone interact. energy: 0.911 local terms energy: -22.939942 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: 2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -48.597571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.597571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.597571 (E_RNA) where: Base-Base interactions energy: -17.605 where: short stacking energy: -17.605 Base-Backbone interact. energy: -0.000 local terms energy: -30.992942 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -44.976635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.976635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.976635 (E_RNA) where: Base-Base interactions energy: -16.909 where: short stacking energy: -16.909 Base-Backbone interact. energy: -0.052 local terms energy: -28.015710 where: bonds (distance) C4'-P energy: -0.634 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -5.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -37.248957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.248957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.248957 (E_RNA) where: Base-Base interactions energy: -8.877 where: short stacking energy: -8.877 Base-Backbone interact. energy: -0.212 local terms energy: -28.159699 where: bonds (distance) C4'-P energy: -8.281 bonds (distance) P-C4' energy: -6.399 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -4.535 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: 4, replica: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -36.943527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.943527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.943527 (E_RNA) where: Base-Base interactions energy: -7.356 where: short stacking energy: -7.356 Base-Backbone interact. energy: -0.002 local terms energy: -29.586473 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -35.193813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.193813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.193813 (E_RNA) where: Base-Base interactions energy: -7.471 where: short stacking energy: -7.915 Base-Backbone interact. energy: -0.000 local terms energy: -27.722289 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -38.317688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.317688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.317688 (E_RNA) where: Base-Base interactions energy: -9.989 where: short stacking energy: -9.989 Base-Backbone interact. energy: -0.103 local terms energy: -28.225578 where: bonds (distance) C4'-P energy: -5.516 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -4.654 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: 7, replica: 4 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -38.745328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.745328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.745328 (E_RNA) where: Base-Base interactions energy: -10.735 where: short stacking energy: -10.735 Base-Backbone interact. energy: -0.883 local terms energy: -27.126863 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -7.754 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -29.870800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.870800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.870800 (E_RNA) where: Base-Base interactions energy: -9.711 where: short stacking energy: -9.711 Base-Backbone interact. energy: -0.073 local terms energy: -20.086089 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -3.075 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: 1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -31.732021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.732021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.732021 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -8.085 Base-Backbone interact. energy: -0.011 local terms energy: -23.635062 where: bonds (distance) C4'-P energy: -5.685 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: 1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -28.877365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.877365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.877365 (E_RNA) where: Base-Base interactions energy: -4.412 where: short stacking energy: -3.238 Base-Backbone interact. energy: -0.640 local terms energy: -23.825157 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -7.424 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -42.365259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.365259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.365259 (E_RNA) where: Base-Base interactions energy: -12.163 where: short stacking energy: -12.163 Base-Backbone interact. energy: -0.084 local terms energy: -30.118303 where: bonds (distance) C4'-P energy: -8.090 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -3.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -40.571221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.571221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.571221 (E_RNA) where: Base-Base interactions energy: -7.810 where: short stacking energy: -7.810 Base-Backbone interact. energy: -1.181 local terms energy: -31.580201 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -6.639 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: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -37.134711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.134711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.134711 (E_RNA) where: Base-Base interactions energy: -9.148 where: short stacking energy: -9.148 Base-Backbone interact. energy: -0.000 local terms energy: -27.985979 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -5.019 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: 4, replica: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -40.597483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.597483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.597483 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.014 local terms energy: -29.749500 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -35.308001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.308001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.308001 (E_RNA) where: Base-Base interactions energy: -8.052 where: short stacking energy: -8.052 Base-Backbone interact. energy: -0.108 local terms energy: -27.148684 where: bonds (distance) C4'-P energy: -5.231 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -1.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -42.874959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.874959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.874959 (E_RNA) where: Base-Base interactions energy: -13.483 where: short stacking energy: -13.483 Base-Backbone interact. energy: -0.000 local terms energy: -29.391250 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -39.854983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.854983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.854983 (E_RNA) where: Base-Base interactions energy: -15.300 where: short stacking energy: -15.300 Base-Backbone interact. energy: -0.003 local terms energy: -24.552246 where: bonds (distance) C4'-P energy: -4.328 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -5.432 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: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -34.701258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.701258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.701258 (E_RNA) where: Base-Base interactions energy: -5.755 where: short stacking energy: -5.140 Base-Backbone interact. energy: -0.556 local terms energy: -28.389981 where: bonds (distance) C4'-P energy: -4.538 bonds (distance) P-C4' energy: -6.899 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -4.778 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: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -33.523397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.523397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.523397 (E_RNA) where: Base-Base interactions energy: -7.010 where: short stacking energy: -7.010 Base-Backbone interact. energy: -0.003 local terms energy: -26.510518 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -3.749 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -31.511256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.511256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.511256 (E_RNA) where: Base-Base interactions energy: -8.058 where: short stacking energy: -8.058 Base-Backbone interact. energy: -0.039 local terms energy: -23.413797 where: bonds (distance) C4'-P energy: -6.712 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: 1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -43.476487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.476487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.476487 (E_RNA) where: Base-Base interactions energy: -13.825 where: short stacking energy: -13.825 Base-Backbone interact. energy: -0.007 local terms energy: -29.643943 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -42.605816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.605816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.605816 (E_RNA) where: Base-Base interactions energy: -11.388 where: short stacking energy: -11.388 Base-Backbone interact. energy: -0.103 local terms energy: -31.114669 where: bonds (distance) C4'-P energy: -7.995 bonds (distance) P-C4' energy: -6.927 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -6.597 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: 3, replica: 1 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -42.090106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.090106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.090106 (E_RNA) where: Base-Base interactions energy: -12.200 where: short stacking energy: -12.200 Base-Backbone interact. energy: -0.037 local terms energy: -29.853179 where: bonds (distance) C4'-P energy: -5.598 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -39.176962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.176962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.176962 (E_RNA) where: Base-Base interactions energy: -14.589 where: short stacking energy: -8.121 Base-Backbone interact. energy: -0.025 local terms energy: -24.562857 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -4.102 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: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -37.838433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.838433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.838433 (E_RNA) where: Base-Base interactions energy: -8.644 where: short stacking energy: -7.330 Base-Backbone interact. energy: -0.865 local terms energy: -28.329050 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -35.463290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.463290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.463290 (E_RNA) where: Base-Base interactions energy: -8.998 where: short stacking energy: -8.998 Base-Backbone interact. energy: -0.392 local terms energy: -26.072664 where: bonds (distance) C4'-P energy: -5.011 bonds (distance) P-C4' energy: -7.901 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -0.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -37.614847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.614847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.614847 (E_RNA) where: Base-Base interactions energy: -13.368 where: short stacking energy: -13.368 Base-Backbone interact. energy: -0.015 local terms energy: -24.232518 where: bonds (distance) C4'-P energy: -2.994 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -36.948100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.948100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.948100 (E_RNA) where: Base-Base interactions energy: -9.307 where: short stacking energy: -4.525 Base-Backbone interact. energy: -0.235 local terms energy: -27.406864 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -5.145 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: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -33.036462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.036462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.036462 (E_RNA) where: Base-Base interactions energy: -5.805 where: short stacking energy: -5.805 Base-Backbone interact. energy: -0.002 local terms energy: -27.228798 where: bonds (distance) C4'-P energy: -6.724 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -5.424 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: 10, replica: 2 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -33.361374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.361374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.361374 (E_RNA) where: Base-Base interactions energy: -12.070 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.046 local terms energy: -21.246128 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -4.581 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: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -48.559193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.559193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.559193 (E_RNA) where: Base-Base interactions energy: -18.148 where: short stacking energy: -18.148 Base-Backbone interact. energy: -0.001 local terms energy: -30.410706 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -3.261 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: 2, replica: 1 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -46.568402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.568402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.568402 (E_RNA) where: Base-Base interactions energy: -17.126 where: short stacking energy: -17.126 Base-Backbone interact. energy: -0.148 local terms energy: -29.295114 where: bonds (distance) C4'-P energy: -3.611 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -5.060 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: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -39.240919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.240919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.240919 (E_RNA) where: Base-Base interactions energy: -9.680 where: short stacking energy: -9.680 Base-Backbone interact. energy: -0.099 local terms energy: -29.461539 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -42.416674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.416674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.416674 (E_RNA) where: Base-Base interactions energy: -9.749 where: short stacking energy: -9.749 Base-Backbone interact. energy: -0.091 local terms energy: -32.576431 where: bonds (distance) C4'-P energy: -6.670 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -38.920706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.920706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.920706 (E_RNA) where: Base-Base interactions energy: -13.700 where: short stacking energy: -13.700 Base-Backbone interact. energy: -0.020 local terms energy: -25.200824 where: bonds (distance) C4'-P energy: -4.924 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -37.955117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.955117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.955117 (E_RNA) where: Base-Base interactions energy: -8.634 where: short stacking energy: -8.634 Base-Backbone interact. energy: -0.009 local terms energy: -29.312402 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -2.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -31.733324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.733324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.733324 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -7.895 Base-Backbone interact. energy: -0.272 local terms energy: -20.148871 where: bonds (distance) C4'-P energy: -3.747 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: 1.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -30.264314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.264314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.264314 (E_RNA) where: Base-Base interactions energy: -5.901 where: short stacking energy: -4.872 Base-Backbone interact. energy: -0.117 local terms energy: -24.245835 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -31.010823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.010823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.010823 (E_RNA) where: Base-Base interactions energy: -2.121 where: short stacking energy: -1.972 Base-Backbone interact. energy: -0.101 local terms energy: -28.788289 where: bonds (distance) C4'-P energy: -6.624 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -34.572048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.572048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.572048 (E_RNA) where: Base-Base interactions energy: -8.298 where: short stacking energy: -8.298 Base-Backbone interact. energy: -0.280 local terms energy: -25.994292 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -47.357320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.357320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.357320 (E_RNA) where: Base-Base interactions energy: -15.107 where: short stacking energy: -15.107 Base-Backbone interact. energy: -0.000 local terms energy: -32.250347 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -6.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -41.181410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.181410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.181410 (E_RNA) where: Base-Base interactions energy: -12.500 where: short stacking energy: -9.822 Base-Backbone interact. energy: -0.013 local terms energy: -28.667885 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -2.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -46.924526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.924526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.924526 (E_RNA) where: Base-Base interactions energy: -17.191 where: short stacking energy: -16.504 Base-Backbone interact. energy: -0.000 local terms energy: -29.733262 where: bonds (distance) C4'-P energy: -6.455 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -5.505 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: 4, replica: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -39.331747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.331747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.331747 (E_RNA) where: Base-Base interactions energy: -11.493 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.158 local terms energy: -27.681138 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -4.794 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -35.236222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.236222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.236222 (E_RNA) where: Base-Base interactions energy: -9.562 where: short stacking energy: -9.562 Base-Backbone interact. energy: -0.002 local terms energy: -25.672418 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -2.775 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: 6, replica: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -35.573136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.573136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.573136 (E_RNA) where: Base-Base interactions energy: -13.989 where: short stacking energy: -13.989 Base-Backbone interact. energy: -0.103 local terms energy: -21.481322 where: bonds (distance) C4'-P energy: -4.592 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -33.994742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.994742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.994742 (E_RNA) where: Base-Base interactions energy: -10.464 where: short stacking energy: -10.464 Base-Backbone interact. energy: 0.195 local terms energy: -23.726583 where: bonds (distance) C4'-P energy: -2.373 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -4.836 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -36.439258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.439258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.439258 (E_RNA) where: Base-Base interactions energy: -10.070 where: short stacking energy: -10.070 Base-Backbone interact. energy: -0.065 local terms energy: -26.303902 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -1.434 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: 9, replica: 2 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -32.968386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.968386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.968386 (E_RNA) where: Base-Base interactions energy: -7.381 where: short stacking energy: -7.381 Base-Backbone interact. energy: -0.194 local terms energy: -25.393249 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -3.433 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: 10, replica: 5 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -34.723003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.723003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.723003 (E_RNA) where: Base-Base interactions energy: -11.564 where: short stacking energy: -11.564 Base-Backbone interact. energy: -0.184 local terms energy: -22.974475 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -7.675 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -0.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -46.996091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.996091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.996091 (E_RNA) where: Base-Base interactions energy: -18.597 where: short stacking energy: -18.597 Base-Backbone interact. energy: -0.005 local terms energy: -28.394160 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -7.454 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -42.883514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.883514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.883514 (E_RNA) where: Base-Base interactions energy: -14.619 where: short stacking energy: -14.619 Base-Backbone interact. energy: -0.000 local terms energy: -28.264412 where: bonds (distance) C4'-P energy: -6.600 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -1.565 tors. eta vs tors. theta energy: -6.215 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: 439 Temperature: 1.000000 Total energy: -44.976773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.976773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.976773 (E_RNA) where: Base-Base interactions energy: -12.519 where: short stacking energy: -12.519 Base-Backbone interact. energy: -0.015 local terms energy: -32.442292 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -41.874359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.874359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.874359 (E_RNA) where: Base-Base interactions energy: -11.634 where: short stacking energy: -11.634 Base-Backbone interact. energy: -0.000 local terms energy: -30.240225 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -6.283 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -7.834 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: 10 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -36.555173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.555173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.555173 (E_RNA) where: Base-Base interactions energy: -7.060 where: short stacking energy: -7.060 Base-Backbone interact. energy: -0.002 local terms energy: -29.492946 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -37.989520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.989520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.989520 (E_RNA) where: Base-Base interactions energy: -7.301 where: short stacking energy: -7.301 Base-Backbone interact. energy: -0.000 local terms energy: -30.688384 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -36.315240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.315240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.315240 (E_RNA) where: Base-Base interactions energy: -9.930 where: short stacking energy: -9.930 Base-Backbone interact. energy: -0.166 local terms energy: -26.218379 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -6.086 flat angles C4'-P-C4' energy: -6.798 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -32.344569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.344569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.344569 (E_RNA) where: Base-Base interactions energy: -6.529 where: short stacking energy: -6.529 Base-Backbone interact. energy: -0.015 local terms energy: -25.800902 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -2.273 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: 9, replica: 9 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -31.817864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.817864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.817864 (E_RNA) where: Base-Base interactions energy: -8.191 where: short stacking energy: -8.191 Base-Backbone interact. energy: -0.003 local terms energy: -23.623379 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -1.879 tors. eta vs tors. theta energy: -2.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -34.888491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.888491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.888491 (E_RNA) where: Base-Base interactions energy: -5.371 where: short stacking energy: -5.371 Base-Backbone interact. energy: -0.000 local terms energy: -29.517454 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -4.925 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: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -46.358263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.358263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.358263 (E_RNA) where: Base-Base interactions energy: -16.732 where: short stacking energy: -16.732 Base-Backbone interact. energy: -0.001 local terms energy: -29.624827 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -6.820 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: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -44.673556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.673556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.673556 (E_RNA) where: Base-Base interactions energy: -10.823 where: short stacking energy: -10.823 Base-Backbone interact. energy: -0.035 local terms energy: -33.815119 where: bonds (distance) C4'-P energy: -7.168 bonds (distance) P-C4' energy: -8.408 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -6.883 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -53.427650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.427650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.427650 (E_RNA) where: Base-Base interactions energy: -19.721 where: short stacking energy: -19.721 Base-Backbone interact. energy: -0.012 local terms energy: -33.694922 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -6.513 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: 440 Temperature: 1.050000 Total energy: -34.596685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.596685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.596685 (E_RNA) where: Base-Base interactions energy: -3.995 where: short stacking energy: -3.995 Base-Backbone interact. energy: -0.097 local terms energy: -30.505267 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -5.963 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: 7 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -34.466461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.466461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.466461 (E_RNA) where: Base-Base interactions energy: -7.586 where: short stacking energy: -5.333 Base-Backbone interact. energy: -0.135 local terms energy: -26.745412 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -37.187420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.187420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.187420 (E_RNA) where: Base-Base interactions energy: -14.135 where: short stacking energy: -13.277 Base-Backbone interact. energy: -0.158 local terms energy: -22.895104 where: bonds (distance) C4'-P energy: -3.702 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -34.405356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.405356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.405356 (E_RNA) where: Base-Base interactions energy: -8.301 where: short stacking energy: -8.301 Base-Backbone interact. energy: -0.105 local terms energy: -25.999845 where: bonds (distance) C4'-P energy: -5.491 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -33.322331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.322331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.322331 (E_RNA) where: Base-Base interactions energy: -6.802 where: short stacking energy: -6.477 Base-Backbone interact. energy: 0.561 local terms energy: -27.081497 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -5.754 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: 9, replica: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -31.884509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.884509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.884509 (E_RNA) where: Base-Base interactions energy: -10.534 where: short stacking energy: -10.534 Base-Backbone interact. energy: -0.001 local terms energy: -21.348853 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -4.516 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -33.098945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.098945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.098945 (E_RNA) where: Base-Base interactions energy: -7.800 where: short stacking energy: -7.800 Base-Backbone interact. energy: -0.020 local terms energy: -25.278806 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -1.605 tors. eta vs tors. theta energy: -3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -54.716792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.716792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.716792 (E_RNA) where: Base-Base interactions energy: -21.931 where: short stacking energy: -21.931 Base-Backbone interact. energy: -0.019 local terms energy: -32.766280 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -7.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -43.533118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.533118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.533118 (E_RNA) where: Base-Base interactions energy: -15.974 where: short stacking energy: -15.974 Base-Backbone interact. energy: -0.021 local terms energy: -27.537914 where: bonds (distance) C4'-P energy: -6.633 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -42.002801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.002801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.002801 (E_RNA) where: Base-Base interactions energy: -14.040 where: short stacking energy: -13.189 Base-Backbone interact. energy: -0.061 local terms energy: -27.901744 where: bonds (distance) C4'-P energy: -5.622 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -4.461 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: 4, replica: 7 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -40.439350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.439350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.439350 (E_RNA) where: Base-Base interactions energy: -15.539 where: short stacking energy: -15.539 Base-Backbone interact. energy: -0.001 local terms energy: -24.899272 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -6.899 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -38.309763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.309763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.309763 (E_RNA) where: Base-Base interactions energy: -11.407 where: short stacking energy: -11.407 Base-Backbone interact. energy: -0.000 local terms energy: -26.902229 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -4.921 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: 6, replica: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -39.349937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.349937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.349937 (E_RNA) where: Base-Base interactions energy: -17.751 where: short stacking energy: -14.612 Base-Backbone interact. energy: -0.175 local terms energy: -21.423541 where: bonds (distance) C4'-P energy: -4.762 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -1.797 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: 7, replica: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -39.522793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.522793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.522793 (E_RNA) where: Base-Base interactions energy: -11.902 where: short stacking energy: -11.902 Base-Backbone interact. energy: -0.000 local terms energy: -27.620856 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -3.152 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: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -32.539042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.539042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.539042 (E_RNA) where: Base-Base interactions energy: -7.706 where: short stacking energy: -7.706 Base-Backbone interact. energy: -0.023 local terms energy: -24.809795 where: bonds (distance) C4'-P energy: -4.994 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -34.534729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.534729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.534729 (E_RNA) where: Base-Base interactions energy: -8.397 where: short stacking energy: -8.397 Base-Backbone interact. energy: -0.005 local terms energy: -26.132424 where: bonds (distance) C4'-P energy: -7.515 bonds (distance) P-C4' energy: -5.614 flat angles C4'-P-C4' energy: -7.317 flat angles P-C4'-P energy: -5.604 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: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -34.825125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.825125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.825125 (E_RNA) where: Base-Base interactions energy: -10.390 where: short stacking energy: -10.390 Base-Backbone interact. energy: -0.395 local terms energy: -24.039488 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -5.829 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: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -46.964954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.964954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.964954 (E_RNA) where: Base-Base interactions energy: -17.905 where: short stacking energy: -9.971 Base-Backbone interact. energy: -0.102 local terms energy: -28.958447 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -5.662 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: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -50.620749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.620749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.620749 (E_RNA) where: Base-Base interactions energy: -20.423 where: short stacking energy: -20.423 Base-Backbone interact. energy: -0.093 local terms energy: -30.104255 where: bonds (distance) C4'-P energy: -7.532 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -45.391876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.391876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.391876 (E_RNA) where: Base-Base interactions energy: -16.499 where: short stacking energy: -16.499 Base-Backbone interact. energy: -0.002 local terms energy: -28.890387 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -2.864 tors. eta vs tors. theta energy: -4.648 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: 7 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -36.953413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.953413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.953413 (E_RNA) where: Base-Base interactions energy: -9.596 where: short stacking energy: -9.596 Base-Backbone interact. energy: -0.078 local terms energy: -27.279885 where: bonds (distance) C4'-P energy: -5.851 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -5.450 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: 10 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -36.593302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.593302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.593302 (E_RNA) where: Base-Base interactions energy: -9.707 where: short stacking energy: -9.707 Base-Backbone interact. energy: 0.259 local terms energy: -27.145288 where: bonds (distance) C4'-P energy: -4.654 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -4.164 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: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -37.914597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.914597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.914597 (E_RNA) where: Base-Base interactions energy: -7.283 where: short stacking energy: -7.283 Base-Backbone interact. energy: -0.000 local terms energy: -30.631497 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -35.794267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.794267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.794267 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -5.385 Base-Backbone interact. energy: 1.027 local terms energy: -28.191411 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -6.283 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -6.650 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: 8, replica: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -34.089017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.089017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.089017 (E_RNA) where: Base-Base interactions energy: -12.061 where: short stacking energy: -12.061 Base-Backbone interact. energy: 1.249 local terms energy: -23.276999 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -0.256 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: 9, replica: 9 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -31.146573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.146573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.146573 (E_RNA) where: Base-Base interactions energy: -7.595 where: short stacking energy: -7.595 Base-Backbone interact. energy: -0.118 local terms energy: -23.433382 where: bonds (distance) C4'-P energy: -5.649 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -34.817872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.817872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.817872 (E_RNA) where: Base-Base interactions energy: -7.518 where: short stacking energy: -7.518 Base-Backbone interact. energy: -0.004 local terms energy: -27.295798 where: bonds (distance) C4'-P energy: -7.246 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -47.671066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.671066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.671066 (E_RNA) where: Base-Base interactions energy: -15.923 where: short stacking energy: -15.923 Base-Backbone interact. energy: -0.001 local terms energy: -31.746401 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -5.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -42.035437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.035437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.035437 (E_RNA) where: Base-Base interactions energy: -12.948 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.001 local terms energy: -29.086103 where: bonds (distance) C4'-P energy: -5.176 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -5.409 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: 3, replica: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -40.312562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.312562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.312562 (E_RNA) where: Base-Base interactions energy: -11.650 where: short stacking energy: -11.650 Base-Backbone interact. energy: -0.006 local terms energy: -28.656455 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -4.884 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: 4, replica: 10 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -39.880976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.880976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.880976 (E_RNA) where: Base-Base interactions energy: -10.962 where: short stacking energy: -10.962 Base-Backbone interact. energy: -0.005 local terms energy: -28.914026 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -36.608871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.608871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.608871 (E_RNA) where: Base-Base interactions energy: -8.651 where: short stacking energy: -8.651 Base-Backbone interact. energy: -0.873 local terms energy: -27.085057 where: bonds (distance) C4'-P energy: -7.014 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -32.672202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.672202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.672202 (E_RNA) where: Base-Base interactions energy: -10.848 where: short stacking energy: -10.863 Base-Backbone interact. energy: -1.082 local terms energy: -20.742373 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -0.142 tors. eta vs tors. theta energy: -3.061 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: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -33.715678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.715678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.715678 (E_RNA) where: Base-Base interactions energy: -8.698 where: short stacking energy: -8.698 Base-Backbone interact. energy: -0.001 local terms energy: -25.017357 where: bonds (distance) C4'-P energy: -6.430 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -1.886 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -33.828284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.828284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.828284 (E_RNA) where: Base-Base interactions energy: -5.868 where: short stacking energy: -5.868 Base-Backbone interact. energy: -0.267 local terms energy: -27.692916 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: 0.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -33.227417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.227417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.227417 (E_RNA) where: Base-Base interactions energy: -5.566 where: short stacking energy: -5.566 Base-Backbone interact. energy: -0.000 local terms energy: -27.661121 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -33.808920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.808920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.808920 (E_RNA) where: Base-Base interactions energy: -8.222 where: short stacking energy: -8.222 Base-Backbone interact. energy: -0.029 local terms energy: -25.557875 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -1.832 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: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -42.893308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.893308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.893308 (E_RNA) where: Base-Base interactions energy: -13.763 where: short stacking energy: -13.763 Base-Backbone interact. energy: -0.003 local terms energy: -29.127207 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -3.801 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: 8 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -46.560413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.560413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.560413 (E_RNA) where: Base-Base interactions energy: -17.531 where: short stacking energy: -17.531 Base-Backbone interact. energy: -0.015 local terms energy: -29.014433 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -4.128 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -4.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -36.067432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.067432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.067432 (E_RNA) where: Base-Base interactions energy: -8.660 where: short stacking energy: -8.660 Base-Backbone interact. energy: -0.102 local terms energy: -27.305303 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -42.108581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.108581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.108581 (E_RNA) where: Base-Base interactions energy: -13.014 where: short stacking energy: -13.014 Base-Backbone interact. energy: -0.017 local terms energy: -29.077106 where: bonds (distance) C4'-P energy: -4.423 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -35.606367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.606367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.606367 (E_RNA) where: Base-Base interactions energy: -6.703 where: short stacking energy: -6.703 Base-Backbone interact. energy: -0.015 local terms energy: -28.888131 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -5.823 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: 6, replica: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -41.620044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.620044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.620044 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.021 local terms energy: -30.253891 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -36.561360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.561360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.561360 (E_RNA) where: Base-Base interactions energy: -8.395 where: short stacking energy: -5.751 Base-Backbone interact. energy: -0.292 local terms energy: -27.874814 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -6.660 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -3.930 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: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -33.549286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.549286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.549286 (E_RNA) where: Base-Base interactions energy: -6.892 where: short stacking energy: -6.892 Base-Backbone interact. energy: -0.051 local terms energy: -26.606323 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -3.979 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: 9, replica: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -33.349236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.349236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.349236 (E_RNA) where: Base-Base interactions energy: -6.254 where: short stacking energy: -6.254 Base-Backbone interact. energy: -0.166 local terms energy: -26.929750 where: bonds (distance) C4'-P energy: -6.041 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -0.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -31.649678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.649678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.649678 (E_RNA) where: Base-Base interactions energy: -6.938 where: short stacking energy: -6.938 Base-Backbone interact. energy: 0.531 local terms energy: -25.243064 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -4.820 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: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -48.116379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.116379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.116379 (E_RNA) where: Base-Base interactions energy: -15.277 where: short stacking energy: -15.277 Base-Backbone interact. energy: -0.097 local terms energy: -32.742489 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.129 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -5.415 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: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -44.370748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.370748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.370748 (E_RNA) where: Base-Base interactions energy: -11.911 where: short stacking energy: -11.911 Base-Backbone interact. energy: -0.010 local terms energy: -32.449854 where: bonds (distance) C4'-P energy: -7.734 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -6.091 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: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -36.314911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.314911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.314911 (E_RNA) where: Base-Base interactions energy: -9.635 where: short stacking energy: -9.635 Base-Backbone interact. energy: -0.320 local terms energy: -26.359901 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -5.816 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -6.329 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: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -45.386971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.386971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.386971 (E_RNA) where: Base-Base interactions energy: -13.096 where: short stacking energy: -13.096 Base-Backbone interact. energy: -0.000 local terms energy: -32.290797 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -5.652 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: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -37.968457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.968457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.968457 (E_RNA) where: Base-Base interactions energy: -8.418 where: short stacking energy: -8.418 Base-Backbone interact. energy: -0.002 local terms energy: -29.549083 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -38.780393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.780393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.780393 (E_RNA) where: Base-Base interactions energy: -8.147 where: short stacking energy: -8.147 Base-Backbone interact. energy: -0.061 local terms energy: -30.571895 where: bonds (distance) C4'-P energy: -6.314 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -6.508 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -5.906 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: 7 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -35.883894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.883894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.883894 (E_RNA) where: Base-Base interactions energy: -12.207 where: short stacking energy: -12.207 Base-Backbone interact. energy: -0.159 local terms energy: -23.517036 where: bonds (distance) C4'-P energy: -2.639 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -4.410 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: 8, replica: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -34.844550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.844550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.844550 (E_RNA) where: Base-Base interactions energy: -5.521 where: short stacking energy: -5.521 Base-Backbone interact. energy: -0.010 local terms energy: -29.313228 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -32.605682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.605682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.605682 (E_RNA) where: Base-Base interactions energy: -6.979 where: short stacking energy: -6.979 Base-Backbone interact. energy: -0.001 local terms energy: -25.626328 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -30.561638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.561638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.561638 (E_RNA) where: Base-Base interactions energy: -6.266 where: short stacking energy: -6.266 Base-Backbone interact. energy: -0.108 local terms energy: -24.187189 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -3.070 flat angles P-C4'-P energy: -5.024 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: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -43.045331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.045331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.045331 (E_RNA) where: Base-Base interactions energy: -12.466 where: short stacking energy: -12.466 Base-Backbone interact. energy: -0.052 local terms energy: -30.527341 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -7.206 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -6.395 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -42.307577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.307577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.307577 (E_RNA) where: Base-Base interactions energy: -12.391 where: short stacking energy: -11.309 Base-Backbone interact. energy: -0.088 local terms energy: -29.828060 where: bonds (distance) C4'-P energy: -5.300 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -5.731 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: 3, replica: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -39.345943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.345943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.345943 (E_RNA) where: Base-Base interactions energy: -16.255 where: short stacking energy: -16.255 Base-Backbone interact. energy: 0.233 local terms energy: -23.323562 where: bonds (distance) C4'-P energy: -5.788 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -3.015 flat angles P-C4'-P energy: -5.531 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: 4, replica: 8 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -42.952874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.952874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.952874 (E_RNA) where: Base-Base interactions energy: -12.374 where: short stacking energy: -12.374 Base-Backbone interact. energy: -0.009 local terms energy: -30.570565 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -33.275344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.275344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.275344 (E_RNA) where: Base-Base interactions energy: -5.950 where: short stacking energy: -5.810 Base-Backbone interact. energy: 0.268 local terms energy: -27.593009 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -5.199 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: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -38.820414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.820414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.820414 (E_RNA) where: Base-Base interactions energy: -14.130 where: short stacking energy: -12.423 Base-Backbone interact. energy: -0.037 local terms energy: -24.653724 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -7.393 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: 0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -33.200167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.200167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.200167 (E_RNA) where: Base-Base interactions energy: -5.774 where: short stacking energy: -5.774 Base-Backbone interact. energy: -0.001 local terms energy: -27.424835 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -3.716 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: 8, replica: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -32.689944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.689944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.689944 (E_RNA) where: Base-Base interactions energy: -8.453 where: short stacking energy: -8.021 Base-Backbone interact. energy: -0.105 local terms energy: -24.131932 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: 1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -33.516925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.516925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.516925 (E_RNA) where: Base-Base interactions energy: -9.128 where: short stacking energy: -9.128 Base-Backbone interact. energy: -0.069 local terms energy: -24.319776 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -6.932 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -3.192 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: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -34.059620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.059620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.059620 (E_RNA) where: Base-Base interactions energy: -9.074 where: short stacking energy: -9.074 Base-Backbone interact. energy: -0.040 local terms energy: -24.945312 where: bonds (distance) C4'-P energy: -5.350 bonds (distance) P-C4' energy: -5.482 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -52.896512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.896512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.896512 (E_RNA) where: Base-Base interactions energy: -21.027 where: short stacking energy: -21.027 Base-Backbone interact. energy: -0.086 local terms energy: -31.783219 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -5.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -39.567128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.567128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.567128 (E_RNA) where: Base-Base interactions energy: -11.542 where: short stacking energy: -11.542 Base-Backbone interact. energy: -0.033 local terms energy: -27.992213 where: bonds (distance) C4'-P energy: -8.297 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -1.458 tors. eta vs tors. theta energy: -5.211 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: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -41.343321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.343321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.343321 (E_RNA) where: Base-Base interactions energy: -11.353 where: short stacking energy: -11.353 Base-Backbone interact. energy: -0.000 local terms energy: -29.990663 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -5.761 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: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -37.591790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.591790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.591790 (E_RNA) where: Base-Base interactions energy: -9.790 where: short stacking energy: -9.790 Base-Backbone interact. energy: -0.184 local terms energy: -27.617204 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -35.842608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.842608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.842608 (E_RNA) where: Base-Base interactions energy: -10.596 where: short stacking energy: -10.596 Base-Backbone interact. energy: -0.104 local terms energy: -25.142035 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -34.931451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.931451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.931451 (E_RNA) where: Base-Base interactions energy: -5.339 where: short stacking energy: -5.339 Base-Backbone interact. energy: -0.057 local terms energy: -29.534722 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -38.888306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.888306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.888306 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -10.821 Base-Backbone interact. energy: -0.052 local terms energy: -26.812683 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -3.155 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: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -33.057203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.057203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.057203 (E_RNA) where: Base-Base interactions energy: -6.527 where: short stacking energy: -6.527 Base-Backbone interact. energy: -0.000 local terms energy: -26.529644 where: bonds (distance) C4'-P energy: -5.470 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -36.500929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.500929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.500929 (E_RNA) where: Base-Base interactions energy: -9.445 where: short stacking energy: -9.445 Base-Backbone interact. energy: -0.005 local terms energy: -27.050737 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -5.862 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: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -29.990488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.990488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.990488 (E_RNA) where: Base-Base interactions energy: -9.740 where: short stacking energy: -9.740 Base-Backbone interact. energy: -0.851 local terms energy: -19.399676 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -2.382 tors. eta vs tors. theta energy: 0.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -49.743095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.743095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.743095 (E_RNA) where: Base-Base interactions energy: -15.399 where: short stacking energy: -16.129 Base-Backbone interact. energy: -0.001 local terms energy: -34.343821 where: bonds (distance) C4'-P energy: -6.410 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -7.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -39.979291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.979291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.979291 (E_RNA) where: Base-Base interactions energy: -13.831 where: short stacking energy: -13.831 Base-Backbone interact. energy: -0.002 local terms energy: -26.146609 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -1.825 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: 3, replica: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -43.445559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.445559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.445559 (E_RNA) where: Base-Base interactions energy: -10.620 where: short stacking energy: -10.620 Base-Backbone interact. energy: -0.109 local terms energy: -32.716105 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: -3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -37.767855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.767855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.767855 (E_RNA) where: Base-Base interactions energy: -8.947 where: short stacking energy: -8.947 Base-Backbone interact. energy: -0.013 local terms energy: -28.808658 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -39.833641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.833641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.833641 (E_RNA) where: Base-Base interactions energy: -11.405 where: short stacking energy: -11.405 Base-Backbone interact. energy: -0.000 local terms energy: -28.428766 where: bonds (distance) C4'-P energy: -5.843 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -4.456 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: 6, replica: 8 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -35.710073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.710073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.710073 (E_RNA) where: Base-Base interactions energy: -9.561 where: short stacking energy: -7.741 Base-Backbone interact. energy: -0.004 local terms energy: -26.145015 where: bonds (distance) C4'-P energy: -3.910 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -40.845178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.845178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.845178 (E_RNA) where: Base-Base interactions energy: -14.971 where: short stacking energy: -14.971 Base-Backbone interact. energy: -0.637 local terms energy: -25.237160 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -30.118706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.118706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.118706 (E_RNA) where: Base-Base interactions energy: -7.338 where: short stacking energy: -7.338 Base-Backbone interact. energy: -0.054 local terms energy: -22.726314 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -3.120 flat angles P-C4'-P energy: -3.080 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: 9, replica: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -29.292948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.292948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.292948 (E_RNA) where: Base-Base interactions energy: -6.028 where: short stacking energy: -6.028 Base-Backbone interact. energy: -0.100 local terms energy: -23.165413 where: bonds (distance) C4'-P energy: -5.197 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -29.166009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.166009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.166009 (E_RNA) where: Base-Base interactions energy: -3.648 where: short stacking energy: -3.648 Base-Backbone interact. energy: -0.122 local terms energy: -25.395159 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: 0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -48.472013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.472013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.472013 (E_RNA) where: Base-Base interactions energy: -14.648 where: short stacking energy: -14.648 Base-Backbone interact. energy: -0.000 local terms energy: -33.823504 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -6.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -33.932168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.932168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.932168 (E_RNA) where: Base-Base interactions energy: -7.851 where: short stacking energy: -6.609 Base-Backbone interact. energy: -0.018 local terms energy: -26.063247 where: bonds (distance) C4'-P energy: -6.473 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -45.855530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.855530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.855530 (E_RNA) where: Base-Base interactions energy: -12.636 where: short stacking energy: -12.636 Base-Backbone interact. energy: -0.000 local terms energy: -33.219124 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -8.206 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -4.517 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: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -38.164502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.164502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.164502 (E_RNA) where: Base-Base interactions energy: -6.892 where: short stacking energy: -6.892 Base-Backbone interact. energy: -0.160 local terms energy: -31.112887 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -6.012 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: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -36.865974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.865974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.865974 (E_RNA) where: Base-Base interactions energy: -8.195 where: short stacking energy: -8.195 Base-Backbone interact. energy: -0.540 local terms energy: -28.131450 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -5.433 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: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -37.001118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.001118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.001118 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.132 local terms energy: -23.742504 where: bonds (distance) C4'-P energy: -5.784 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -2.086 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: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -34.456034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.456034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.456034 (E_RNA) where: Base-Base interactions energy: -8.677 where: short stacking energy: -8.677 Base-Backbone interact. energy: -0.012 local terms energy: -25.766877 where: bonds (distance) C4'-P energy: -6.273 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -4.456 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: 8, replica: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -33.147252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.147252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.147252 (E_RNA) where: Base-Base interactions energy: -7.571 where: short stacking energy: -7.454 Base-Backbone interact. energy: -0.133 local terms energy: -25.443298 where: bonds (distance) C4'-P energy: -5.187 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -5.093 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: 9, replica: 1 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -36.203883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.203883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.203883 (E_RNA) where: Base-Base interactions energy: -9.164 where: short stacking energy: -6.113 Base-Backbone interact. energy: -0.080 local terms energy: -26.960050 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -31.823088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.823088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.823088 (E_RNA) where: Base-Base interactions energy: -3.157 where: short stacking energy: -3.090 Base-Backbone interact. energy: -0.001 local terms energy: -28.665006 where: bonds (distance) C4'-P energy: -6.339 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.502 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: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -46.932990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.932990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.932990 (E_RNA) where: Base-Base interactions energy: -11.988 where: short stacking energy: -12.752 Base-Backbone interact. energy: -0.011 local terms energy: -34.934683 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -6.531 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: 5 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -40.804406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.804406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.804406 (E_RNA) where: Base-Base interactions energy: -10.494 where: short stacking energy: -10.494 Base-Backbone interact. energy: -0.291 local terms energy: -30.019290 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -5.242 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: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -39.982165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.982165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.982165 (E_RNA) where: Base-Base interactions energy: -8.978 where: short stacking energy: -8.348 Base-Backbone interact. energy: -0.731 local terms energy: -30.272980 where: bonds (distance) C4'-P energy: -5.416 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -5.470 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: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -36.280475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.280475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.280475 (E_RNA) where: Base-Base interactions energy: -10.002 where: short stacking energy: -10.002 Base-Backbone interact. energy: -0.015 local terms energy: -26.263430 where: bonds (distance) C4'-P energy: -5.345 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -44.339228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.339228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.339228 (E_RNA) where: Base-Base interactions energy: -14.063 where: short stacking energy: -14.063 Base-Backbone interact. energy: -0.003 local terms energy: -30.273370 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -38.669647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.669647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.669647 (E_RNA) where: Base-Base interactions energy: -11.879 where: short stacking energy: -11.879 Base-Backbone interact. energy: -0.302 local terms energy: -26.488617 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -4.374 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: 7, replica: 4 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -35.730859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.730859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.730859 (E_RNA) where: Base-Base interactions energy: -10.860 where: short stacking energy: -10.860 Base-Backbone interact. energy: -0.028 local terms energy: -24.841878 where: bonds (distance) C4'-P energy: -6.112 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -2.431 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: 8, replica: 9 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -33.278151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.278151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.278151 (E_RNA) where: Base-Base interactions energy: -5.959 where: short stacking energy: -5.959 Base-Backbone interact. energy: -0.025 local terms energy: -27.294203 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -5.457 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -29.637464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.637464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.637464 (E_RNA) where: Base-Base interactions energy: -4.102 where: short stacking energy: -4.102 Base-Backbone interact. energy: -0.085 local terms energy: -25.450672 where: bonds (distance) C4'-P energy: -5.266 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -3.865 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: 10, replica: 1 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -32.168172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.168172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.168172 (E_RNA) where: Base-Base interactions energy: -5.916 where: short stacking energy: -5.916 Base-Backbone interact. energy: -0.000 local terms energy: -26.252071 where: bonds (distance) C4'-P energy: -4.480 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -5.112 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: 1, replica: 10 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -44.349845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.349845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.349845 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.000 local terms energy: -31.732690 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -5.894 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: 2, replica: 2 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -46.210438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.210438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.210438 (E_RNA) where: Base-Base interactions energy: -13.575 where: short stacking energy: -13.575 Base-Backbone interact. energy: -0.211 local terms energy: -32.423618 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -5.036 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: 3, replica: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -37.019356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.019356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.019356 (E_RNA) where: Base-Base interactions energy: -9.547 where: short stacking energy: -9.547 Base-Backbone interact. energy: -0.004 local terms energy: -27.468555 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -44.779687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.779687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.779687 (E_RNA) where: Base-Base interactions energy: -11.560 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.000 local terms energy: -33.219482 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -5.754 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: 5, replica: 8 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -34.707801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.707801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.707801 (E_RNA) where: Base-Base interactions energy: -6.817 where: short stacking energy: -5.568 Base-Backbone interact. energy: -0.498 local terms energy: -27.393055 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -5.393 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: 6, replica: 6 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -36.472082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.472082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.472082 (E_RNA) where: Base-Base interactions energy: -14.785 where: short stacking energy: -14.785 Base-Backbone interact. energy: -0.000 local terms energy: -21.686831 where: bonds (distance) C4'-P energy: -2.936 bonds (distance) P-C4' energy: -5.105 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -42.079933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.079933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.079933 (E_RNA) where: Base-Base interactions energy: -10.588 where: short stacking energy: -10.588 Base-Backbone interact. energy: -0.000 local terms energy: -31.492406 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -36.172365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.172365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.172365 (E_RNA) where: Base-Base interactions energy: -10.580 where: short stacking energy: -10.580 Base-Backbone interact. energy: -0.052 local terms energy: -25.540281 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -33.170547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.170547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.170547 (E_RNA) where: Base-Base interactions energy: -5.983 where: short stacking energy: -5.983 Base-Backbone interact. energy: -0.105 local terms energy: -27.082714 where: bonds (distance) C4'-P energy: -6.306 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -36.675302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.675302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.675302 (E_RNA) where: Base-Base interactions energy: -9.641 where: short stacking energy: -9.641 Base-Backbone interact. energy: -0.001 local terms energy: -27.033071 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -7.755 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -3.569 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: 1, replica: 2 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -35.483126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.483126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.483126 (E_RNA) where: Base-Base interactions energy: -7.587 where: short stacking energy: -7.687 Base-Backbone interact. energy: -0.032 local terms energy: -27.864271 where: bonds (distance) C4'-P energy: -7.631 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -5.378 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: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -38.845118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.845118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.845118 (E_RNA) where: Base-Base interactions energy: -11.857 where: short stacking energy: -9.547 Base-Backbone interact. energy: -0.183 local terms energy: -26.805043 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.775 flat angles P-C4'-P energy: -5.380 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: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -41.194918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.194918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.194918 (E_RNA) where: Base-Base interactions energy: -14.033 where: short stacking energy: -14.033 Base-Backbone interact. energy: -0.001 local terms energy: -27.161065 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -7.454 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -40.506329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.506329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.506329 (E_RNA) where: Base-Base interactions energy: -12.259 where: short stacking energy: -12.259 Base-Backbone interact. energy: -0.000 local terms energy: -28.247562 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -6.193 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -4.591 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: 5, replica: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -33.686713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.686713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.686713 (E_RNA) where: Base-Base interactions energy: -8.932 where: short stacking energy: -8.932 Base-Backbone interact. energy: -0.000 local terms energy: -24.754719 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -5.921 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.992 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: 6, replica: 6 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -37.524067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.524067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.524067 (E_RNA) where: Base-Base interactions energy: -8.135 where: short stacking energy: -8.135 Base-Backbone interact. energy: -0.072 local terms energy: -29.316814 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -3.012 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: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -35.515374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.515374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.515374 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.080 local terms energy: -23.681628 where: bonds (distance) C4'-P energy: -6.517 bonds (distance) P-C4' energy: -4.096 flat angles C4'-P-C4' energy: -7.768 flat angles P-C4'-P energy: -3.991 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: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -31.429577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.429577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.429577 (E_RNA) where: Base-Base interactions energy: -7.718 where: short stacking energy: -7.718 Base-Backbone interact. energy: -0.000 local terms energy: -23.711181 where: bonds (distance) C4'-P energy: -3.631 bonds (distance) P-C4' energy: -6.537 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -3.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -33.178506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.178506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.178506 (E_RNA) where: Base-Base interactions energy: -3.096 where: short stacking energy: -3.096 Base-Backbone interact. energy: -0.000 local terms energy: -30.082143 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -4.741 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: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -32.296743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.296743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.296743 (E_RNA) where: Base-Base interactions energy: -6.490 where: short stacking energy: -6.490 Base-Backbone interact. energy: -0.094 local terms energy: -25.712725 where: bonds (distance) C4'-P energy: -4.911 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -2.187 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: 1, replica: 2 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -43.837605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.837605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.837605 (E_RNA) where: Base-Base interactions energy: -16.964 where: short stacking energy: -16.964 Base-Backbone interact. energy: -0.002 local terms energy: -26.871552 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -43.759595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.759595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.759595 (E_RNA) where: Base-Base interactions energy: -15.906 where: short stacking energy: -15.906 Base-Backbone interact. energy: -0.100 local terms energy: -27.753737 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -43.159565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.159565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.159565 (E_RNA) where: Base-Base interactions energy: -14.682 where: short stacking energy: -14.682 Base-Backbone interact. energy: -0.100 local terms energy: -28.377559 where: bonds (distance) C4'-P energy: -6.687 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -2.872 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -5.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -39.816967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.816967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.816967 (E_RNA) where: Base-Base interactions energy: -11.914 where: short stacking energy: -11.914 Base-Backbone interact. energy: -0.027 local terms energy: -27.876716 where: bonds (distance) C4'-P energy: -5.872 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -4.483 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: 5, replica: 5 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -38.891258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.891258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.891258 (E_RNA) where: Base-Base interactions energy: -12.474 where: short stacking energy: -12.474 Base-Backbone interact. energy: -0.037 local terms energy: -26.380227 where: bonds (distance) C4'-P energy: -4.352 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -37.178748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.178748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.178748 (E_RNA) where: Base-Base interactions energy: -10.066 where: short stacking energy: -10.066 Base-Backbone interact. energy: 0.091 local terms energy: -27.203657 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -2.332 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -33.669989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.669989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.669989 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: -7.801 Base-Backbone interact. energy: -1.008 local terms energy: -24.860814 where: bonds (distance) C4'-P energy: -6.189 bonds (distance) P-C4' energy: -7.908 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -2.983 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: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -31.925063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.925063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.925063 (E_RNA) where: Base-Base interactions energy: -7.774 where: short stacking energy: -7.774 Base-Backbone interact. energy: -0.246 local terms energy: -23.904653 where: bonds (distance) C4'-P energy: -4.393 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -4.632 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: 9, replica: 4 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -34.309235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.309235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.309235 (E_RNA) where: Base-Base interactions energy: -9.263 where: short stacking energy: -9.263 Base-Backbone interact. energy: -0.010 local terms energy: -25.036517 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -4.511 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: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -33.606076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.606076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.606076 (E_RNA) where: Base-Base interactions energy: -7.571 where: short stacking energy: -7.571 Base-Backbone interact. energy: -0.001 local terms energy: -26.033981 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -48.598576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.598576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.598576 (E_RNA) where: Base-Base interactions energy: -13.923 where: short stacking energy: -13.923 Base-Backbone interact. energy: -0.124 local terms energy: -34.552149 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -5.942 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: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -41.047445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.047445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.047445 (E_RNA) where: Base-Base interactions energy: -14.650 where: short stacking energy: -14.650 Base-Backbone interact. energy: -0.003 local terms energy: -26.394457 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -5.097 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: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -36.767791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.767791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.767791 (E_RNA) where: Base-Base interactions energy: -11.157 where: short stacking energy: -11.157 Base-Backbone interact. energy: -0.019 local terms energy: -25.591703 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -3.601 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: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -43.840226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.840226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.840226 (E_RNA) where: Base-Base interactions energy: -16.590 where: short stacking energy: -16.590 Base-Backbone interact. energy: -0.002 local terms energy: -27.248538 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -4.597 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -6.175 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -39.839901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.839901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.839901 (E_RNA) where: Base-Base interactions energy: -12.556 where: short stacking energy: -12.556 Base-Backbone interact. energy: -0.001 local terms energy: -27.283713 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -1.925 tors. eta vs tors. theta energy: -5.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -35.598096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598096 (E_RNA) where: Base-Base interactions energy: -11.272 where: short stacking energy: -11.272 Base-Backbone interact. energy: -0.005 local terms energy: -24.321584 where: bonds (distance) C4'-P energy: -4.452 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.174 flat angles P-C4'-P energy: -5.273 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: 7, replica: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -33.445219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.445219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.445219 (E_RNA) where: Base-Base interactions energy: -9.555 where: short stacking energy: -9.555 Base-Backbone interact. energy: -0.000 local terms energy: -23.889768 where: bonds (distance) C4'-P energy: -4.218 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -34.318115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.318115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.318115 (E_RNA) where: Base-Base interactions energy: -7.095 where: short stacking energy: -7.095 Base-Backbone interact. energy: -0.002 local terms energy: -27.221938 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -4.681 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: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -35.541672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.541672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.541672 (E_RNA) where: Base-Base interactions energy: -6.829 where: short stacking energy: -6.829 Base-Backbone interact. energy: -0.086 local terms energy: -28.627021 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -37.946115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.946115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.946115 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: -0.025 local terms energy: -29.817798 where: bonds (distance) C4'-P energy: -5.681 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -42.544673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.544673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.544673 (E_RNA) where: Base-Base interactions energy: -12.277 where: short stacking energy: -12.277 Base-Backbone interact. energy: -0.033 local terms energy: -30.234193 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -45.593912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.593912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.593912 (E_RNA) where: Base-Base interactions energy: -11.899 where: short stacking energy: -10.473 Base-Backbone interact. energy: -1.052 local terms energy: -32.642063 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -7.623 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -46.055312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.055312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.055312 (E_RNA) where: Base-Base interactions energy: -12.619 where: short stacking energy: -12.619 Base-Backbone interact. energy: -0.000 local terms energy: -33.436618 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -7.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -35.994748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.994748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.994748 (E_RNA) where: Base-Base interactions energy: -10.402 where: short stacking energy: -10.402 Base-Backbone interact. energy: -0.000 local terms energy: -25.592435 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -1.211 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: 5, replica: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -41.794651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.794651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.794651 (E_RNA) where: Base-Base interactions energy: -14.292 where: short stacking energy: -14.292 Base-Backbone interact. energy: -0.001 local terms energy: -27.501247 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -3.346 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: 455 Temperature: 1.150000 Total energy: -39.757617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.757617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.757617 (E_RNA) where: Base-Base interactions energy: -13.726 where: short stacking energy: -13.726 Base-Backbone interact. energy: -0.049 local terms energy: -25.982674 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -44.627196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.627196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.627196 (E_RNA) where: Base-Base interactions energy: -11.249 where: short stacking energy: -11.249 Base-Backbone interact. energy: -0.003 local terms energy: -33.375436 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -39.476204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.476204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.476204 (E_RNA) where: Base-Base interactions energy: -10.122 where: short stacking energy: -10.122 Base-Backbone interact. energy: -0.001 local terms energy: -29.352265 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -6.444 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -34.196354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.196354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.196354 (E_RNA) where: Base-Base interactions energy: -8.961 where: short stacking energy: -8.961 Base-Backbone interact. energy: -0.021 local terms energy: -25.214410 where: bonds (distance) C4'-P energy: -6.004 bonds (distance) P-C4' energy: -6.386 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -35.506495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.506495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.506495 (E_RNA) where: Base-Base interactions energy: -8.508 where: short stacking energy: -8.508 Base-Backbone interact. energy: -0.050 local terms energy: -26.948961 where: bonds (distance) C4'-P energy: -6.476 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -3.397 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: 1, replica: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -41.976069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.976069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.976069 (E_RNA) where: Base-Base interactions energy: -14.577 where: short stacking energy: -13.574 Base-Backbone interact. energy: -0.119 local terms energy: -27.280375 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -4.619 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: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -41.477837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.477837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.477837 (E_RNA) where: Base-Base interactions energy: -13.397 where: short stacking energy: -13.397 Base-Backbone interact. energy: -0.016 local terms energy: -28.065157 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -6.056 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: 3, replica: 7 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -38.001777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.001777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.001777 (E_RNA) where: Base-Base interactions energy: -8.204 where: short stacking energy: -8.204 Base-Backbone interact. energy: -0.000 local terms energy: -29.797125 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -4.069 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: 4, replica: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -36.979599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.979599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.979599 (E_RNA) where: Base-Base interactions energy: -12.147 where: short stacking energy: -9.333 Base-Backbone interact. energy: -0.054 local terms energy: -24.778080 where: bonds (distance) C4'-P energy: -6.758 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -4.554 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: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -35.907592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.907592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.907592 (E_RNA) where: Base-Base interactions energy: -11.333 where: short stacking energy: -11.333 Base-Backbone interact. energy: -0.017 local terms energy: -24.557212 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -41.689793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.689793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.689793 (E_RNA) where: Base-Base interactions energy: -13.572 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.004 local terms energy: -28.114407 where: bonds (distance) C4'-P energy: -5.221 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -6.706 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: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -35.611765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.611765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.611765 (E_RNA) where: Base-Base interactions energy: -6.581 where: short stacking energy: -6.581 Base-Backbone interact. energy: -0.000 local terms energy: -29.030441 where: bonds (distance) C4'-P energy: -6.065 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -4.723 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: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -38.967483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.967483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.967483 (E_RNA) where: Base-Base interactions energy: -12.173 where: short stacking energy: -12.173 Base-Backbone interact. energy: -0.032 local terms energy: -26.762997 where: bonds (distance) C4'-P energy: -5.428 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -2.785 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -35.149889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.149889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.149889 (E_RNA) where: Base-Base interactions energy: -11.936 where: short stacking energy: -11.936 Base-Backbone interact. energy: -0.004 local terms energy: -23.210038 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -5.967 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -30.667527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.667527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.667527 (E_RNA) where: Base-Base interactions energy: -6.546 where: short stacking energy: -6.546 Base-Backbone interact. energy: -0.001 local terms energy: -24.121293 where: bonds (distance) C4'-P energy: -6.525 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -3.013 flat angles P-C4'-P energy: -5.680 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: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -50.279388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.279388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.279388 (E_RNA) where: Base-Base interactions energy: -17.151 where: short stacking energy: -17.151 Base-Backbone interact. energy: -0.001 local terms energy: -33.127726 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -49.050075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.050075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.050075 (E_RNA) where: Base-Base interactions energy: -17.711 where: short stacking energy: -17.711 Base-Backbone interact. energy: -0.001 local terms energy: -31.338870 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -3.796 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: 3, replica: 7 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -40.848357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.848357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.848357 (E_RNA) where: Base-Base interactions energy: -11.857 where: short stacking energy: -11.857 Base-Backbone interact. energy: -0.000 local terms energy: -28.991787 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -35.257938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.257938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.257938 (E_RNA) where: Base-Base interactions energy: -8.256 where: short stacking energy: -8.270 Base-Backbone interact. energy: -0.283 local terms energy: -26.718730 where: bonds (distance) C4'-P energy: -7.052 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -4.745 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: 5, replica: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -39.664075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.664075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.664075 (E_RNA) where: Base-Base interactions energy: -9.166 where: short stacking energy: -9.166 Base-Backbone interact. energy: -0.023 local terms energy: -30.474785 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -6.077 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: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -36.257716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.257716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.257716 (E_RNA) where: Base-Base interactions energy: -12.698 where: short stacking energy: -12.698 Base-Backbone interact. energy: -0.005 local terms energy: -23.554656 where: bonds (distance) C4'-P energy: -3.980 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -6.941 tors. eta vs tors. theta energy: 1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -36.626398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.626398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.626398 (E_RNA) where: Base-Base interactions energy: -10.816 where: short stacking energy: -10.816 Base-Backbone interact. energy: -0.013 local terms energy: -25.797531 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -1.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -38.687344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.687344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.687344 (E_RNA) where: Base-Base interactions energy: -10.805 where: short stacking energy: -10.805 Base-Backbone interact. energy: -0.083 local terms energy: -27.799559 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -5.350 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: 9, replica: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -34.705388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.705388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.705388 (E_RNA) where: Base-Base interactions energy: -8.532 where: short stacking energy: -8.532 Base-Backbone interact. energy: -0.006 local terms energy: -26.167267 where: bonds (distance) C4'-P energy: -6.261 bonds (distance) P-C4' energy: -4.618 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -4.885 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: 10, replica: 6 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -33.259579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.259579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.259579 (E_RNA) where: Base-Base interactions energy: -6.966 where: short stacking energy: -5.426 Base-Backbone interact. energy: -0.000 local terms energy: -26.292702 where: bonds (distance) C4'-P energy: -6.402 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -5.993 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: 1, replica: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -42.268565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.268565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.268565 (E_RNA) where: Base-Base interactions energy: -12.558 where: short stacking energy: -9.402 Base-Backbone interact. energy: -0.023 local terms energy: -29.687521 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -6.289 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: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -43.266997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.266997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.266997 (E_RNA) where: Base-Base interactions energy: -13.903 where: short stacking energy: -13.903 Base-Backbone interact. energy: -0.000 local terms energy: -29.364042 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -44.250505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.250505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.250505 (E_RNA) where: Base-Base interactions energy: -14.458 where: short stacking energy: -14.458 Base-Backbone interact. energy: -0.248 local terms energy: -29.544056 where: bonds (distance) C4'-P energy: -5.622 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -6.281 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: 4, replica: 7 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -39.182350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.182350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.182350 (E_RNA) where: Base-Base interactions energy: -11.542 where: short stacking energy: -11.542 Base-Backbone interact. energy: -0.073 local terms energy: -27.567072 where: bonds (distance) C4'-P energy: -6.327 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -34.144518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.144518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.144518 (E_RNA) where: Base-Base interactions energy: -5.854 where: short stacking energy: -5.854 Base-Backbone interact. energy: -0.143 local terms energy: -28.147439 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -37.505347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.505347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.505347 (E_RNA) where: Base-Base interactions energy: -12.508 where: short stacking energy: -12.508 Base-Backbone interact. energy: -0.000 local terms energy: -24.996766 where: bonds (distance) C4'-P energy: -5.515 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -3.211 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -34.147238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.147238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.147238 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -8.702 Base-Backbone interact. energy: -0.104 local terms energy: -25.341127 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -2.867 flat angles P-C4'-P energy: -5.109 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: 8, replica: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -34.559335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.559335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.559335 (E_RNA) where: Base-Base interactions energy: -10.187 where: short stacking energy: -10.187 Base-Backbone interact. energy: -0.007 local terms energy: -24.365763 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -2.906 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -30.594237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.594237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.594237 (E_RNA) where: Base-Base interactions energy: -10.287 where: short stacking energy: -10.287 Base-Backbone interact. energy: -0.041 local terms energy: -20.265378 where: bonds (distance) C4'-P energy: -4.870 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -1.192 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: 5 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -34.688060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.688060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.688060 (E_RNA) where: Base-Base interactions energy: -7.904 where: short stacking energy: -7.106 Base-Backbone interact. energy: -0.082 local terms energy: -26.702208 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -4.347 flat angles P-C4'-P energy: -5.651 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: 1, replica: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -39.935113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.935113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.935113 (E_RNA) where: Base-Base interactions energy: -10.524 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.009 local terms energy: -29.402517 where: bonds (distance) C4'-P energy: -6.305 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -43.102696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.102696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.102696 (E_RNA) where: Base-Base interactions energy: -12.789 where: short stacking energy: -12.789 Base-Backbone interact. energy: -0.014 local terms energy: -30.299979 where: bonds (distance) C4'-P energy: -6.235 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -39.172964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.172964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.172964 (E_RNA) where: Base-Base interactions energy: -10.997 where: short stacking energy: -10.997 Base-Backbone interact. energy: -0.127 local terms energy: -28.048856 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -41.876928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.876928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.876928 (E_RNA) where: Base-Base interactions energy: -14.766 where: short stacking energy: -14.766 Base-Backbone interact. energy: -0.018 local terms energy: -27.092934 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -1.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -36.726029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.726029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.726029 (E_RNA) where: Base-Base interactions energy: -10.307 where: short stacking energy: -10.307 Base-Backbone interact. energy: 0.726 local terms energy: -27.145328 where: bonds (distance) C4'-P energy: -6.571 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -36.759422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.759422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.759422 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: 0.131 local terms energy: -28.974430 where: bonds (distance) C4'-P energy: -5.168 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -34.280146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.280146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.280146 (E_RNA) where: Base-Base interactions energy: -10.035 where: short stacking energy: -10.035 Base-Backbone interact. energy: -0.020 local terms energy: -24.224873 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -4.267 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: 8, replica: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -30.633113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.633113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.633113 (E_RNA) where: Base-Base interactions energy: -2.477 where: short stacking energy: -2.477 Base-Backbone interact. energy: -0.001 local terms energy: -28.154710 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -5.521 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: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -31.507951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.507951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.507951 (E_RNA) where: Base-Base interactions energy: -9.685 where: short stacking energy: -9.685 Base-Backbone interact. energy: -0.042 local terms energy: -21.780371 where: bonds (distance) C4'-P energy: -4.530 bonds (distance) P-C4' energy: -4.538 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -1.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -35.295818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.295818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.295818 (E_RNA) where: Base-Base interactions energy: -5.172 where: short stacking energy: -5.172 Base-Backbone interact. energy: -0.017 local terms energy: -30.106993 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -40.718260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.718260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.718260 (E_RNA) where: Base-Base interactions energy: -13.606 where: short stacking energy: -13.606 Base-Backbone interact. energy: -0.001 local terms energy: -27.110945 where: bonds (distance) C4'-P energy: -7.229 bonds (distance) P-C4' energy: -5.561 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -3.864 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: 2, replica: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -42.469820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.469820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.469820 (E_RNA) where: Base-Base interactions energy: -16.391 where: short stacking energy: -13.498 Base-Backbone interact. energy: -0.325 local terms energy: -25.753337 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -1.094 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: 3, replica: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -37.778657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.778657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.778657 (E_RNA) where: Base-Base interactions energy: -9.997 where: short stacking energy: -9.997 Base-Backbone interact. energy: -0.032 local terms energy: -27.749404 where: bonds (distance) C4'-P energy: -5.826 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -4.035 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: 4, replica: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -36.750578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.750578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.750578 (E_RNA) where: Base-Base interactions energy: -10.704 where: short stacking energy: -10.704 Base-Backbone interact. energy: -0.000 local terms energy: -26.046178 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -5.228 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -4.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -38.658010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.658010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.658010 (E_RNA) where: Base-Base interactions energy: -10.615 where: short stacking energy: -10.615 Base-Backbone interact. energy: -0.078 local terms energy: -27.964823 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -3.246 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: 6, replica: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -39.090792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.090792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.090792 (E_RNA) where: Base-Base interactions energy: -15.825 where: short stacking energy: -12.705 Base-Backbone interact. energy: -0.002 local terms energy: -23.263955 where: bonds (distance) C4'-P energy: -4.903 bonds (distance) P-C4' energy: -5.520 flat angles C4'-P-C4' energy: -3.404 flat angles P-C4'-P energy: -5.576 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: 7, replica: 6 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -34.162491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.162491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.162491 (E_RNA) where: Base-Base interactions energy: -10.405 where: short stacking energy: -10.405 Base-Backbone interact. energy: -0.375 local terms energy: -23.381756 where: bonds (distance) C4'-P energy: -3.591 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -6.199 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: 8, replica: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -33.517603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.517603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.517603 (E_RNA) where: Base-Base interactions energy: -10.178 where: short stacking energy: -10.178 Base-Backbone interact. energy: -0.111 local terms energy: -23.227919 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -1.119 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: 9, replica: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -32.812413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.812413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.812413 (E_RNA) where: Base-Base interactions energy: -6.585 where: short stacking energy: -6.246 Base-Backbone interact. energy: -0.189 local terms energy: -26.038632 where: bonds (distance) C4'-P energy: -6.360 bonds (distance) P-C4' energy: -6.426 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -5.243 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: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -34.185740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.185740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.185740 (E_RNA) where: Base-Base interactions energy: -8.018 where: short stacking energy: -8.068 Base-Backbone interact. energy: -0.054 local terms energy: -26.113490 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -41.794711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.794711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.794711 (E_RNA) where: Base-Base interactions energy: -12.958 where: short stacking energy: -12.242 Base-Backbone interact. energy: -0.789 local terms energy: -28.047865 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -4.990 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: 9 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -40.899349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.899349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.899349 (E_RNA) where: Base-Base interactions energy: -11.091 where: short stacking energy: -11.091 Base-Backbone interact. energy: -0.040 local terms energy: -29.768588 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -1.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -42.839999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.839999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.839999 (E_RNA) where: Base-Base interactions energy: -13.520 where: short stacking energy: -13.520 Base-Backbone interact. energy: -0.001 local terms energy: -29.319021 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -6.746 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -3.401 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: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -41.089370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.089370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.089370 (E_RNA) where: Base-Base interactions energy: -15.397 where: short stacking energy: -15.397 Base-Backbone interact. energy: -0.000 local terms energy: -25.691929 where: bonds (distance) C4'-P energy: -3.011 bonds (distance) P-C4' energy: -7.132 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -31.670799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.670799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.670799 (E_RNA) where: Base-Base interactions energy: -3.662 where: short stacking energy: -3.662 Base-Backbone interact. energy: -0.122 local terms energy: -27.886435 where: bonds (distance) C4'-P energy: -6.662 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -4.790 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: 6, replica: 6 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -39.837266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.837266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.837266 (E_RNA) where: Base-Base interactions energy: -14.582 where: short stacking energy: -14.582 Base-Backbone interact. energy: -0.002 local terms energy: -25.253110 where: bonds (distance) C4'-P energy: -5.996 bonds (distance) P-C4' energy: -4.539 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -31.599203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.599203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.599203 (E_RNA) where: Base-Base interactions energy: -4.252 where: short stacking energy: -4.752 Base-Backbone interact. energy: -0.182 local terms energy: -27.165735 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -6.932 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -6.270 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: 5 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -29.149617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.149617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.149617 (E_RNA) where: Base-Base interactions energy: -1.992 where: short stacking energy: -1.992 Base-Backbone interact. energy: -0.075 local terms energy: -27.082780 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -31.709140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.709140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.709140 (E_RNA) where: Base-Base interactions energy: -10.812 where: short stacking energy: -10.812 Base-Backbone interact. energy: -0.003 local terms energy: -20.894352 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -0.300 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: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -31.669332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.669332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.669332 (E_RNA) where: Base-Base interactions energy: -5.639 where: short stacking energy: -5.639 Base-Backbone interact. energy: -0.036 local terms energy: -25.994215 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: 0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -48.909935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.909935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.909935 (E_RNA) where: Base-Base interactions energy: -15.203 where: short stacking energy: -15.203 Base-Backbone interact. energy: -0.077 local terms energy: -33.630228 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -7.623 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -5.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -42.743417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.743417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.743417 (E_RNA) where: Base-Base interactions energy: -11.889 where: short stacking energy: -11.889 Base-Backbone interact. energy: -0.000 local terms energy: -30.854078 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -4.350 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: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -36.163683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.163683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.163683 (E_RNA) where: Base-Base interactions energy: -8.592 where: short stacking energy: -7.398 Base-Backbone interact. energy: -0.190 local terms energy: -27.381713 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -4.727 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: 4, replica: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -43.156827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.156827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.156827 (E_RNA) where: Base-Base interactions energy: -10.920 where: short stacking energy: -10.920 Base-Backbone interact. energy: -0.195 local terms energy: -32.041400 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -39.480851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.480851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.480851 (E_RNA) where: Base-Base interactions energy: -10.289 where: short stacking energy: -10.289 Base-Backbone interact. energy: -0.006 local terms energy: -29.185387 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -7.454 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -5.922 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: 6, replica: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -34.986620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.986620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.986620 (E_RNA) where: Base-Base interactions energy: -7.282 where: short stacking energy: -7.282 Base-Backbone interact. energy: -0.050 local terms energy: -27.653924 where: bonds (distance) C4'-P energy: -6.042 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -3.112 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: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -36.774625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.774625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.774625 (E_RNA) where: Base-Base interactions energy: -14.758 where: short stacking energy: -14.758 Base-Backbone interact. energy: -0.031 local terms energy: -21.985718 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -1.753 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -38.067088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.067088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.067088 (E_RNA) where: Base-Base interactions energy: -10.334 where: short stacking energy: -10.334 Base-Backbone interact. energy: -0.015 local terms energy: -27.717343 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -36.169129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.169129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.169129 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.016 local terms energy: -28.690551 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -5.063 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: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -32.160681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.160681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.160681 (E_RNA) where: Base-Base interactions energy: -6.002 where: short stacking energy: -4.597 Base-Backbone interact. energy: -0.160 local terms energy: -25.999087 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.914 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: 1, replica: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -47.846754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.846754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.846754 (E_RNA) where: Base-Base interactions energy: -16.219 where: short stacking energy: -16.219 Base-Backbone interact. energy: -0.083 local terms energy: -31.544756 where: bonds (distance) C4'-P energy: -6.244 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -5.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -47.258909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.258909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.258909 (E_RNA) where: Base-Base interactions energy: -15.322 where: short stacking energy: -14.972 Base-Backbone interact. energy: -0.017 local terms energy: -31.919117 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -5.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -39.192909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.192909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.192909 (E_RNA) where: Base-Base interactions energy: -7.915 where: short stacking energy: -5.139 Base-Backbone interact. energy: -0.184 local terms energy: -31.093912 where: bonds (distance) C4'-P energy: -7.842 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -3.286 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: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -35.379218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.379218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.379218 (E_RNA) where: Base-Base interactions energy: -7.222 where: short stacking energy: -7.222 Base-Backbone interact. energy: -0.077 local terms energy: -28.079989 where: bonds (distance) C4'-P energy: -6.422 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -3.914 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: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -34.821497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.821497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.821497 (E_RNA) where: Base-Base interactions energy: -10.931 where: short stacking energy: -9.759 Base-Backbone interact. energy: -0.153 local terms energy: -23.737755 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -6.191 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -40.839640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.839640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.839640 (E_RNA) where: Base-Base interactions energy: -12.319 where: short stacking energy: -12.319 Base-Backbone interact. energy: -0.036 local terms energy: -28.484624 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -4.887 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: 7, replica: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -39.200758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.200758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.200758 (E_RNA) where: Base-Base interactions energy: -8.767 where: short stacking energy: -8.767 Base-Backbone interact. energy: -0.157 local terms energy: -30.276742 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -7.132 flat angles C4'-P-C4' energy: -7.363 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -37.005025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.005025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.005025 (E_RNA) where: Base-Base interactions energy: -8.407 where: short stacking energy: -8.407 Base-Backbone interact. energy: -0.000 local terms energy: -28.597919 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -6.648 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: 9, replica: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -30.168297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.168297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.168297 (E_RNA) where: Base-Base interactions energy: -7.097 where: short stacking energy: -7.097 Base-Backbone interact. energy: -0.069 local terms energy: -23.002316 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -6.309 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: 1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -32.666586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.666586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.666586 (E_RNA) where: Base-Base interactions energy: -7.090 where: short stacking energy: -7.090 Base-Backbone interact. energy: -0.132 local terms energy: -25.443856 where: bonds (distance) C4'-P energy: -4.298 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -3.107 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: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -46.021343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.021343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.021343 (E_RNA) where: Base-Base interactions energy: -11.743 where: short stacking energy: -11.743 Base-Backbone interact. energy: -0.011 local terms energy: -34.266836 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -5.821 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: 9 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -41.789072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.789072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.789072 (E_RNA) where: Base-Base interactions energy: -11.975 where: short stacking energy: -11.975 Base-Backbone interact. energy: -0.001 local terms energy: -29.813170 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -35.602012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.602012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.602012 (E_RNA) where: Base-Base interactions energy: -7.046 where: short stacking energy: -7.046 Base-Backbone interact. energy: 0.667 local terms energy: -29.222555 where: bonds (distance) C4'-P energy: -5.384 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -5.148 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: 4, replica: 1 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -35.938909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.938909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.938909 (E_RNA) where: Base-Base interactions energy: -7.489 where: short stacking energy: -7.489 Base-Backbone interact. energy: -0.075 local terms energy: -28.374886 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -7.208 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -4.138 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: 5, replica: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -37.943074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.943074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.943074 (E_RNA) where: Base-Base interactions energy: -8.780 where: short stacking energy: -8.780 Base-Backbone interact. energy: -0.003 local terms energy: -29.160292 where: bonds (distance) C4'-P energy: -6.323 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -8.013 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -32.328729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.328729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.328729 (E_RNA) where: Base-Base interactions energy: -4.181 where: short stacking energy: -4.181 Base-Backbone interact. energy: -0.005 local terms energy: -28.143366 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -4.714 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: 7, replica: 10 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -30.010934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.010934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.010934 (E_RNA) where: Base-Base interactions energy: -5.855 where: short stacking energy: -5.616 Base-Backbone interact. energy: -0.265 local terms energy: -23.891461 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: 1.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -36.122886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.122886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.122886 (E_RNA) where: Base-Base interactions energy: -11.388 where: short stacking energy: -11.388 Base-Backbone interact. energy: 1.069 local terms energy: -25.803513 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -6.601 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: 9, replica: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -40.960993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.960993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.960993 (E_RNA) where: Base-Base interactions energy: -11.835 where: short stacking energy: -11.835 Base-Backbone interact. energy: -0.043 local terms energy: -29.083039 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -2.910 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: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -33.553191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.553191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.553191 (E_RNA) where: Base-Base interactions energy: -8.585 where: short stacking energy: -8.585 Base-Backbone interact. energy: -0.061 local terms energy: -24.907250 where: bonds (distance) C4'-P energy: -4.936 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -44.804053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.804053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.804053 (E_RNA) where: Base-Base interactions energy: -15.248 where: short stacking energy: -15.153 Base-Backbone interact. energy: -0.000 local terms energy: -29.555678 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -6.970 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -4.260 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: 2, replica: 6 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -41.500460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.500460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.500460 (E_RNA) where: Base-Base interactions energy: -10.788 where: short stacking energy: -10.788 Base-Backbone interact. energy: -0.006 local terms energy: -30.706415 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -4.670 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: 3, replica: 9 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -41.804532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.804532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.804532 (E_RNA) where: Base-Base interactions energy: -9.498 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.004 local terms energy: -32.302853 where: bonds (distance) C4'-P energy: -6.936 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -34.648396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.648396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.648396 (E_RNA) where: Base-Base interactions energy: -9.127 where: short stacking energy: -9.127 Base-Backbone interact. energy: 0.619 local terms energy: -26.139663 where: bonds (distance) C4'-P energy: -5.445 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: 0.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -35.121600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.121600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.121600 (E_RNA) where: Base-Base interactions energy: -9.276 where: short stacking energy: -9.276 Base-Backbone interact. energy: -0.065 local terms energy: -25.780477 where: bonds (distance) C4'-P energy: -5.996 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -4.603 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: 6, replica: 10 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -35.638289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.638289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.638289 (E_RNA) where: Base-Base interactions energy: -7.326 where: short stacking energy: -7.326 Base-Backbone interact. energy: -0.009 local terms energy: -28.302946 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -7.768 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -32.429736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.429736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.429736 (E_RNA) where: Base-Base interactions energy: -6.296 where: short stacking energy: -6.092 Base-Backbone interact. energy: -0.207 local terms energy: -25.927019 where: bonds (distance) C4'-P energy: -6.832 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -34.305874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.305874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.305874 (E_RNA) where: Base-Base interactions energy: -6.716 where: short stacking energy: -6.716 Base-Backbone interact. energy: -0.015 local terms energy: -27.575049 where: bonds (distance) C4'-P energy: -7.113 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -32.295401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.295401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.295401 (E_RNA) where: Base-Base interactions energy: -7.765 where: short stacking energy: -7.765 Base-Backbone interact. energy: -0.000 local terms energy: -24.530201 where: bonds (distance) C4'-P energy: -5.933 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -4.441 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: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -29.789182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.789182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.789182 (E_RNA) where: Base-Base interactions energy: -6.361 where: short stacking energy: -5.152 Base-Backbone interact. energy: -0.040 local terms energy: -23.387546 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -45.023582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.023582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.023582 (E_RNA) where: Base-Base interactions energy: -14.108 where: short stacking energy: -14.108 Base-Backbone interact. energy: -0.012 local terms energy: -30.904427 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -5.510 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: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -38.595852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.595852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.595852 (E_RNA) where: Base-Base interactions energy: -9.454 where: short stacking energy: -9.454 Base-Backbone interact. energy: -0.007 local terms energy: -29.134231 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -38.135973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.135973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.135973 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -10.320 Base-Backbone interact. energy: -0.029 local terms energy: -27.786615 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -6.629 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -35.676077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.676077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.676077 (E_RNA) where: Base-Base interactions energy: -9.877 where: short stacking energy: -9.877 Base-Backbone interact. energy: -0.117 local terms energy: -25.682262 where: bonds (distance) C4'-P energy: -4.104 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -36.915387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.915387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.915387 (E_RNA) where: Base-Base interactions energy: -6.049 where: short stacking energy: -6.049 Base-Backbone interact. energy: -0.000 local terms energy: -30.866499 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -33.905013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.905013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.905013 (E_RNA) where: Base-Base interactions energy: -8.651 where: short stacking energy: -8.651 Base-Backbone interact. energy: -0.079 local terms energy: -25.174600 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -35.104288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.104288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.104288 (E_RNA) where: Base-Base interactions energy: -9.802 where: short stacking energy: -9.802 Base-Backbone interact. energy: -0.519 local terms energy: -24.783720 where: bonds (distance) C4'-P energy: -4.655 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -1.860 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: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -35.665180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.665180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.665180 (E_RNA) where: Base-Base interactions energy: -12.654 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.060 local terms energy: -22.951565 where: bonds (distance) C4'-P energy: -5.792 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -2.755 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -30.005105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.005105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.005105 (E_RNA) where: Base-Base interactions energy: -7.815 where: short stacking energy: -7.815 Base-Backbone interact. energy: -0.000 local terms energy: -22.190134 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -6.936 flat angles C4'-P-C4' energy: -3.380 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -30.472855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.472855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.472855 (E_RNA) where: Base-Base interactions energy: -6.418 where: short stacking energy: -6.418 Base-Backbone interact. energy: -0.000 local terms energy: -24.054978 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -5.355 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -2.172 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: 1, replica: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -43.277122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.277122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.277122 (E_RNA) where: Base-Base interactions energy: -9.658 where: short stacking energy: -9.658 Base-Backbone interact. energy: -0.152 local terms energy: -33.466606 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -7.184 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -40.467321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.467321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.467321 (E_RNA) where: Base-Base interactions energy: -11.611 where: short stacking energy: -11.611 Base-Backbone interact. energy: -0.927 local terms energy: -27.929357 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -3.443 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: 3, replica: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -39.909673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.909673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.909673 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.000 local terms energy: -29.498994 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -5.260 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: 467 Temperature: 1.050000 Total energy: -37.307735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.307735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.307735 (E_RNA) where: Base-Base interactions energy: -7.494 where: short stacking energy: -7.494 Base-Backbone interact. energy: -0.005 local terms energy: -29.808078 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -4.009 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: 5, replica: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -38.045381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.045381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.045381 (E_RNA) where: Base-Base interactions energy: -8.151 where: short stacking energy: -8.151 Base-Backbone interact. energy: -0.053 local terms energy: -29.841792 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.200 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -35.728541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.728541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.728541 (E_RNA) where: Base-Base interactions energy: -9.686 where: short stacking energy: -9.686 Base-Backbone interact. energy: -0.000 local terms energy: -26.042473 where: bonds (distance) C4'-P energy: -4.592 bonds (distance) P-C4' energy: -6.405 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -4.309 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: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -36.401279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.401279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.401279 (E_RNA) where: Base-Base interactions energy: -12.457 where: short stacking energy: -12.457 Base-Backbone interact. energy: -0.001 local terms energy: -23.943074 where: bonds (distance) C4'-P energy: -3.794 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -2.357 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: 8, replica: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -35.431292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.431292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.431292 (E_RNA) where: Base-Base interactions energy: -11.881 where: short stacking energy: -11.881 Base-Backbone interact. energy: -0.008 local terms energy: -23.542571 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -1.749 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: 9, replica: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -31.331948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.331948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.331948 (E_RNA) where: Base-Base interactions energy: -8.538 where: short stacking energy: -8.538 Base-Backbone interact. energy: -0.001 local terms energy: -22.792346 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -4.559 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -33.958576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.958576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.958576 (E_RNA) where: Base-Base interactions energy: -7.183 where: short stacking energy: -7.183 Base-Backbone interact. energy: -0.037 local terms energy: -26.738002 where: bonds (distance) C4'-P energy: -5.031 bonds (distance) P-C4' energy: -6.249 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -3.845 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: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -44.892028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.892028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.892028 (E_RNA) where: Base-Base interactions energy: -14.960 where: short stacking energy: -14.960 Base-Backbone interact. energy: -0.099 local terms energy: -29.833087 where: bonds (distance) C4'-P energy: -6.414 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -6.779 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: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -43.425698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.425698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.425698 (E_RNA) where: Base-Base interactions energy: -12.037 where: short stacking energy: -12.037 Base-Backbone interact. energy: -0.071 local terms energy: -31.318343 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -8.913 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -2.190 tors. eta vs tors. theta energy: -7.523 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: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -41.514082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.514082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.514082 (E_RNA) where: Base-Base interactions energy: -12.262 where: short stacking energy: -10.842 Base-Backbone interact. energy: -0.099 local terms energy: -29.153584 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -44.329593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.329593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.329593 (E_RNA) where: Base-Base interactions energy: -13.183 where: short stacking energy: -13.183 Base-Backbone interact. energy: -0.058 local terms energy: -31.089101 where: bonds (distance) C4'-P energy: -6.662 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -35.321164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.321164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.321164 (E_RNA) where: Base-Base interactions energy: -12.083 where: short stacking energy: -12.083 Base-Backbone interact. energy: -0.032 local terms energy: -23.206566 where: bonds (distance) C4'-P energy: -5.169 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -3.671 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: 6, replica: 8 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -37.634314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.634314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.634314 (E_RNA) where: Base-Base interactions energy: -9.872 where: short stacking energy: -9.872 Base-Backbone interact. energy: -0.021 local terms energy: -27.741555 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: -6.528 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: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -30.693729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.693729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.693729 (E_RNA) where: Base-Base interactions energy: -5.450 where: short stacking energy: -5.450 Base-Backbone interact. energy: -0.457 local terms energy: -24.787327 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: 0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -35.410488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.410488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.410488 (E_RNA) where: Base-Base interactions energy: -10.801 where: short stacking energy: -10.801 Base-Backbone interact. energy: -0.000 local terms energy: -24.609411 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -5.497 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: 9, replica: 2 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -29.979668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.979668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.979668 (E_RNA) where: Base-Base interactions energy: -4.216 where: short stacking energy: -4.216 Base-Backbone interact. energy: -0.193 local terms energy: -25.571513 where: bonds (distance) C4'-P energy: -5.330 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -5.876 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: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -30.887965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.887965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.887965 (E_RNA) where: Base-Base interactions energy: -9.631 where: short stacking energy: -9.550 Base-Backbone interact. energy: -0.066 local terms energy: -21.190950 where: bonds (distance) C4'-P energy: -6.422 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -2.213 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -45.428432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.428432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.428432 (E_RNA) where: Base-Base interactions energy: -12.759 where: short stacking energy: -12.759 Base-Backbone interact. energy: -0.415 local terms energy: -32.254448 where: bonds (distance) C4'-P energy: -6.406 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -4.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -43.852148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.852148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.852148 (E_RNA) where: Base-Base interactions energy: -13.580 where: short stacking energy: -13.580 Base-Backbone interact. energy: -1.385 local terms energy: -28.887619 where: bonds (distance) C4'-P energy: -6.600 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -4.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -50.336453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.336453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.336453 (E_RNA) where: Base-Base interactions energy: -17.440 where: short stacking energy: -17.440 Base-Backbone interact. energy: -0.024 local terms energy: -32.872422 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -35.992324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.992324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.992324 (E_RNA) where: Base-Base interactions energy: -5.221 where: short stacking energy: -5.221 Base-Backbone interact. energy: -0.019 local terms energy: -30.752119 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -41.954223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.954223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.954223 (E_RNA) where: Base-Base interactions energy: -13.515 where: short stacking energy: -13.515 Base-Backbone interact. energy: -0.015 local terms energy: -28.424193 where: bonds (distance) C4'-P energy: -5.561 bonds (distance) P-C4' energy: -8.228 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -1.451 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: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -31.202801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.202801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.202801 (E_RNA) where: Base-Base interactions energy: -6.860 where: short stacking energy: -6.808 Base-Backbone interact. energy: -0.055 local terms energy: -24.287516 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.734 flat angles C4'-P-C4' energy: -8.470 flat angles P-C4'-P energy: -1.531 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: 7, replica: 8 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -37.348745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.348745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.348745 (E_RNA) where: Base-Base interactions energy: -11.535 where: short stacking energy: -11.535 Base-Backbone interact. energy: -0.838 local terms energy: -24.975902 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -2.033 tors. eta vs tors. theta energy: -3.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -32.713519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.713519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.713519 (E_RNA) where: Base-Base interactions energy: -7.142 where: short stacking energy: -7.142 Base-Backbone interact. energy: 1.129 local terms energy: -26.700036 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -6.214 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: 1 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -33.990817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.990817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.990817 (E_RNA) where: Base-Base interactions energy: -6.419 where: short stacking energy: -6.419 Base-Backbone interact. energy: -0.144 local terms energy: -27.428449 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -5.687 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: -6.574 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: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -32.898129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.898129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.898129 (E_RNA) where: Base-Base interactions energy: -7.867 where: short stacking energy: -7.867 Base-Backbone interact. energy: -0.148 local terms energy: -24.882602 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -43.198645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.198645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.198645 (E_RNA) where: Base-Base interactions energy: -16.603 where: short stacking energy: -16.603 Base-Backbone interact. energy: -0.018 local terms energy: -26.577683 where: bonds (distance) C4'-P energy: -6.918 bonds (distance) P-C4' energy: -4.752 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -4.510 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: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -41.979778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.979778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.979778 (E_RNA) where: Base-Base interactions energy: -12.626 where: short stacking energy: -12.626 Base-Backbone interact. energy: -0.013 local terms energy: -29.340886 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -2.326 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -38.566775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.566775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.566775 (E_RNA) where: Base-Base interactions energy: -7.593 where: short stacking energy: -7.593 Base-Backbone interact. energy: -0.012 local terms energy: -30.961488 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -5.140 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: 4, replica: 10 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -36.711181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.711181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.711181 (E_RNA) where: Base-Base interactions energy: -9.045 where: short stacking energy: -9.045 Base-Backbone interact. energy: -0.000 local terms energy: -27.666303 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -3.908 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: 5, replica: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -38.108651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.108651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.108651 (E_RNA) where: Base-Base interactions energy: -14.063 where: short stacking energy: -14.063 Base-Backbone interact. energy: -0.082 local terms energy: -23.962998 where: bonds (distance) C4'-P energy: -3.131 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -2.572 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: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -39.449119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.449119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.449119 (E_RNA) where: Base-Base interactions energy: -11.446 where: short stacking energy: -9.922 Base-Backbone interact. energy: -0.229 local terms energy: -27.773957 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -31.683073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.683073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.683073 (E_RNA) where: Base-Base interactions energy: -9.820 where: short stacking energy: -9.820 Base-Backbone interact. energy: -0.349 local terms energy: -21.514197 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -8.141 flat angles C4'-P-C4' energy: -4.145 flat angles P-C4'-P energy: -0.982 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -32.459674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.459674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.459674 (E_RNA) where: Base-Base interactions energy: -10.831 where: short stacking energy: -10.831 Base-Backbone interact. energy: -0.000 local terms energy: -21.628251 where: bonds (distance) C4'-P energy: -5.300 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: 0.411 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: 9, replica: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -33.558706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.558706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.558706 (E_RNA) where: Base-Base interactions energy: -13.427 where: short stacking energy: -8.808 Base-Backbone interact. energy: -0.032 local terms energy: -20.099384 where: bonds (distance) C4'-P energy: -0.907 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -2.126 tors. eta vs tors. theta energy: -3.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -30.152170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.152170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.152170 (E_RNA) where: Base-Base interactions energy: -6.605 where: short stacking energy: -6.605 Base-Backbone interact. energy: -0.004 local terms energy: -23.543756 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -6.945 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.692 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: 3 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -41.203565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.203565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.203565 (E_RNA) where: Base-Base interactions energy: -15.290 where: short stacking energy: -15.290 Base-Backbone interact. energy: -0.071 local terms energy: -25.842447 where: bonds (distance) C4'-P energy: -5.933 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -5.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -41.587136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.587136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.587136 (E_RNA) where: Base-Base interactions energy: -10.577 where: short stacking energy: -10.577 Base-Backbone interact. energy: -0.003 local terms energy: -31.007206 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -37.723306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.723306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.723306 (E_RNA) where: Base-Base interactions energy: -10.651 where: short stacking energy: -10.651 Base-Backbone interact. energy: 1.019 local terms energy: -28.091348 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -6.614 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -6.027 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: 4 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -39.035620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.035620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.035620 (E_RNA) where: Base-Base interactions energy: -8.743 where: short stacking energy: -7.497 Base-Backbone interact. energy: -0.017 local terms energy: -30.275398 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -5.261 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: 471 Temperature: 1.100000 Total energy: -37.433614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.433614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.433614 (E_RNA) where: Base-Base interactions energy: -7.192 where: short stacking energy: -7.192 Base-Backbone interact. energy: -0.000 local terms energy: -30.241493 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -5.065 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: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -40.744575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.744575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.744575 (E_RNA) where: Base-Base interactions energy: -13.630 where: short stacking energy: -12.506 Base-Backbone interact. energy: 0.369 local terms energy: -27.483378 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -6.774 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.059 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: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -32.504830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.504830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.504830 (E_RNA) where: Base-Base interactions energy: -7.281 where: short stacking energy: -7.281 Base-Backbone interact. energy: 0.751 local terms energy: -25.975021 where: bonds (distance) C4'-P energy: -7.104 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -5.596 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: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -29.644357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.644357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.644357 (E_RNA) where: Base-Base interactions energy: -5.833 where: short stacking energy: -5.833 Base-Backbone interact. energy: -0.180 local terms energy: -23.631289 where: bonds (distance) C4'-P energy: -5.366 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -5.282 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: 9, replica: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -37.803490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.803490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.803490 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -10.089 Base-Backbone interact. energy: -0.067 local terms energy: -28.647907 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.151 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -3.075 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: 10, replica: 1 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -31.151276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.151276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.151276 (E_RNA) where: Base-Base interactions energy: -7.121 where: short stacking energy: -7.121 Base-Backbone interact. energy: -0.019 local terms energy: -24.011208 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -0.309 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -50.855417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.855417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.855417 (E_RNA) where: Base-Base interactions energy: -17.392 where: short stacking energy: -17.392 Base-Backbone interact. energy: -0.015 local terms energy: -33.448616 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -36.419038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.419038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.419038 (E_RNA) where: Base-Base interactions energy: -9.708 where: short stacking energy: -9.708 Base-Backbone interact. energy: -0.030 local terms energy: -26.680777 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -1.621 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: 5 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -43.654351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.654351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.654351 (E_RNA) where: Base-Base interactions energy: -10.585 where: short stacking energy: -10.585 Base-Backbone interact. energy: -0.096 local terms energy: -32.973634 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -7.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -37.856613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.856613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.856613 (E_RNA) where: Base-Base interactions energy: -11.029 where: short stacking energy: -11.029 Base-Backbone interact. energy: 0.528 local terms energy: -27.356096 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -42.242343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.242343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.242343 (E_RNA) where: Base-Base interactions energy: -11.932 where: short stacking energy: -9.668 Base-Backbone interact. energy: -0.312 local terms energy: -29.998373 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -5.747 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: 6, replica: 10 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -36.283353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.283353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.283353 (E_RNA) where: Base-Base interactions energy: -5.037 where: short stacking energy: -5.037 Base-Backbone interact. energy: -0.065 local terms energy: -31.181033 where: bonds (distance) C4'-P energy: -6.207 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -5.692 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: 7, replica: 7 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -38.342317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.342317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.342317 (E_RNA) where: Base-Base interactions energy: -14.049 where: short stacking energy: -14.049 Base-Backbone interact. energy: -0.001 local terms energy: -24.292285 where: bonds (distance) C4'-P energy: -5.489 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -2.800 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -3.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -34.039396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.039396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.039396 (E_RNA) where: Base-Base interactions energy: -5.912 where: short stacking energy: -5.912 Base-Backbone interact. energy: -0.038 local terms energy: -28.089321 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -7.996 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -5.219 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: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -35.877229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.877229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.877229 (E_RNA) where: Base-Base interactions energy: -6.098 where: short stacking energy: -6.098 Base-Backbone interact. energy: -0.106 local terms energy: -29.673564 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -5.074 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: 10, replica: 8 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -33.327097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.327097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.327097 (E_RNA) where: Base-Base interactions energy: -8.186 where: short stacking energy: -8.186 Base-Backbone interact. energy: -0.000 local terms energy: -25.140870 where: bonds (distance) C4'-P energy: -7.416 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: 0.600 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: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -38.173506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.173506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.173506 (E_RNA) where: Base-Base interactions energy: -7.767 where: short stacking energy: -7.767 Base-Backbone interact. energy: -0.005 local terms energy: -30.401126 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -3.787 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: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -42.237437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.237437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.237437 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -31.633470 where: bonds (distance) C4'-P energy: -5.833 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -3.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -38.269340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.269340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.269340 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -11.652 Base-Backbone interact. energy: -0.053 local terms energy: -26.564275 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -3.718 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: 4, replica: 4 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -38.316875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.316875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.316875 (E_RNA) where: Base-Base interactions energy: -9.573 where: short stacking energy: -9.573 Base-Backbone interact. energy: -0.093 local terms energy: -28.651465 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -5.136 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: 5, replica: 9 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -39.570601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.570601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.570601 (E_RNA) where: Base-Base interactions energy: -12.197 where: short stacking energy: -12.197 Base-Backbone interact. energy: -0.030 local terms energy: -27.343708 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -4.339 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: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -35.483198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.483198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.483198 (E_RNA) where: Base-Base interactions energy: -8.883 where: short stacking energy: -8.883 Base-Backbone interact. energy: -0.002 local terms energy: -26.597909 where: bonds (distance) C4'-P energy: -5.730 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -5.144 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: 7, replica: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -38.141841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.141841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.141841 (E_RNA) where: Base-Base interactions energy: -16.506 where: short stacking energy: -16.506 Base-Backbone interact. energy: -0.010 local terms energy: -21.625636 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -3.724 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -2.742 tors. eta vs tors. theta energy: -2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -32.671876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.671876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.671876 (E_RNA) where: Base-Base interactions energy: -6.184 where: short stacking energy: -6.184 Base-Backbone interact. energy: -0.027 local terms energy: -26.461613 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -2.306 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -32.857937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.857937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.857937 (E_RNA) where: Base-Base interactions energy: -7.342 where: short stacking energy: -7.342 Base-Backbone interact. energy: -0.019 local terms energy: -25.496577 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: 0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -33.714932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.714932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.714932 (E_RNA) where: Base-Base interactions energy: -3.680 where: short stacking energy: -3.644 Base-Backbone interact. energy: -0.644 local terms energy: -29.391354 where: bonds (distance) C4'-P energy: -6.592 bonds (distance) P-C4' energy: -7.153 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -6.266 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: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -40.319527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.319527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.319527 (E_RNA) where: Base-Base interactions energy: -12.459 where: short stacking energy: -12.459 Base-Backbone interact. energy: -0.099 local terms energy: -27.761844 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -48.034302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.034302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.034302 (E_RNA) where: Base-Base interactions energy: -15.200 where: short stacking energy: -15.200 Base-Backbone interact. energy: -0.000 local terms energy: -32.834511 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -6.037 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: 3, replica: 4 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -34.786622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.786622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.786622 (E_RNA) where: Base-Base interactions energy: -10.441 where: short stacking energy: -10.441 Base-Backbone interact. energy: -0.153 local terms energy: -24.192471 where: bonds (distance) C4'-P energy: -6.327 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -3.030 flat angles P-C4'-P energy: -6.242 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: 4, replica: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -37.749453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.749453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.749453 (E_RNA) where: Base-Base interactions energy: -11.779 where: short stacking energy: -11.779 Base-Backbone interact. energy: -0.066 local terms energy: -25.904377 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -4.394 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: 5, replica: 7 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -34.168887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.168887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.168887 (E_RNA) where: Base-Base interactions energy: -10.158 where: short stacking energy: -10.158 Base-Backbone interact. energy: -0.018 local terms energy: -23.993328 where: bonds (distance) C4'-P energy: -7.122 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -3.741 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: 6, replica: 9 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -35.117956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.117956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.117956 (E_RNA) where: Base-Base interactions energy: -5.060 where: short stacking energy: -5.060 Base-Backbone interact. energy: -0.015 local terms energy: -30.043342 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -5.335 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: 7, replica: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -34.426926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.426926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.426926 (E_RNA) where: Base-Base interactions energy: -6.915 where: short stacking energy: -5.455 Base-Backbone interact. energy: 0.432 local terms energy: -27.944008 where: bonds (distance) C4'-P energy: -5.942 bonds (distance) P-C4' energy: -6.421 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -6.224 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: 8, replica: 10 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -34.070535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.070535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.070535 (E_RNA) where: Base-Base interactions energy: -9.639 where: short stacking energy: -6.924 Base-Backbone interact. energy: -0.337 local terms energy: -24.094306 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: 0.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -28.870039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.870039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.870039 (E_RNA) where: Base-Base interactions energy: -8.057 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.067 local terms energy: -20.745287 where: bonds (distance) C4'-P energy: -3.996 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -0.363 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: 10, replica: 2 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -31.176509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.176509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.176509 (E_RNA) where: Base-Base interactions energy: -2.622 where: short stacking energy: -2.622 Base-Backbone interact. energy: -0.178 local terms energy: -28.376896 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -1.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -48.391740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.391740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.391740 (E_RNA) where: Base-Base interactions energy: -17.870 where: short stacking energy: -17.870 Base-Backbone interact. energy: -0.002 local terms energy: -30.519242 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -6.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -49.896620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.896620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.896620 (E_RNA) where: Base-Base interactions energy: -18.813 where: short stacking energy: -18.813 Base-Backbone interact. energy: -0.000 local terms energy: -31.083398 where: bonds (distance) C4'-P energy: -6.158 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -8.364 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: 475 Temperature: 1.000000 Total energy: -44.104345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.104345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.104345 (E_RNA) where: Base-Base interactions energy: -13.621 where: short stacking energy: -13.621 Base-Backbone interact. energy: -0.010 local terms energy: -30.473618 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -7.368 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -5.039 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: 475 Temperature: 1.050000 Total energy: -38.284578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.284578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.284578 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -10.218 Base-Backbone interact. energy: -0.160 local terms energy: -26.740021 where: bonds (distance) C4'-P energy: -3.776 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -4.058 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: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -40.155564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.155564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.155564 (E_RNA) where: Base-Base interactions energy: -12.422 where: short stacking energy: -12.422 Base-Backbone interact. energy: -0.843 local terms energy: -26.889613 where: bonds (distance) C4'-P energy: -6.153 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -38.623870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.623870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.623870 (E_RNA) where: Base-Base interactions energy: -13.203 where: short stacking energy: -9.678 Base-Backbone interact. energy: -0.006 local terms energy: -25.415340 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -4.488 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -5.726 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: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -34.491666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.491666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.491666 (E_RNA) where: Base-Base interactions energy: -8.178 where: short stacking energy: -8.178 Base-Backbone interact. energy: -0.001 local terms energy: -26.311839 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -34.596189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.596189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.596189 (E_RNA) where: Base-Base interactions energy: -10.061 where: short stacking energy: -10.061 Base-Backbone interact. energy: -0.045 local terms energy: -24.490641 where: bonds (distance) C4'-P energy: -4.795 bonds (distance) P-C4' energy: -6.042 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -35.890180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.890180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.890180 (E_RNA) where: Base-Base interactions energy: -9.246 where: short stacking energy: -9.246 Base-Backbone interact. energy: -0.000 local terms energy: -26.644421 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.905 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: 2 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -35.750747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.750747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.750747 (E_RNA) where: Base-Base interactions energy: -9.178 where: short stacking energy: -9.178 Base-Backbone interact. energy: -0.000 local terms energy: -26.572224 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -6.212 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -5.026 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: 4 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -46.948865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.948865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.948865 (E_RNA) where: Base-Base interactions energy: -14.432 where: short stacking energy: -14.432 Base-Backbone interact. energy: -0.033 local terms energy: -32.483880 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -5.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -40.723023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.723023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.723023 (E_RNA) where: Base-Base interactions energy: -13.652 where: short stacking energy: -13.652 Base-Backbone interact. energy: -0.010 local terms energy: -27.061276 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -2.993 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: 3, replica: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -40.347507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.347507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.347507 (E_RNA) where: Base-Base interactions energy: -11.526 where: short stacking energy: -11.526 Base-Backbone interact. energy: -0.080 local terms energy: -28.741641 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -40.286389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.286389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.286389 (E_RNA) where: Base-Base interactions energy: -9.085 where: short stacking energy: -9.085 Base-Backbone interact. energy: -1.817 local terms energy: -29.384468 where: bonds (distance) C4'-P energy: -6.882 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -3.759 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: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -33.406160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.406160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.406160 (E_RNA) where: Base-Base interactions energy: -4.940 where: short stacking energy: -4.940 Base-Backbone interact. energy: -0.103 local terms energy: -28.362189 where: bonds (distance) C4'-P energy: -5.586 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -39.500522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.500522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.500522 (E_RNA) where: Base-Base interactions energy: -11.434 where: short stacking energy: -11.434 Base-Backbone interact. energy: 0.086 local terms energy: -28.152601 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -5.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -32.526476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.526476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.526476 (E_RNA) where: Base-Base interactions energy: -4.722 where: short stacking energy: -5.067 Base-Backbone interact. energy: -0.029 local terms energy: -27.775701 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -34.158788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.158788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.158788 (E_RNA) where: Base-Base interactions energy: -6.276 where: short stacking energy: -6.276 Base-Backbone interact. energy: -0.076 local terms energy: -27.806871 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -6.164 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: 9, replica: 2 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -33.368792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.368792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.368792 (E_RNA) where: Base-Base interactions energy: -8.908 where: short stacking energy: -8.908 Base-Backbone interact. energy: -0.081 local terms energy: -24.379964 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -31.454793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.454793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.454793 (E_RNA) where: Base-Base interactions energy: -8.526 where: short stacking energy: -8.526 Base-Backbone interact. energy: -0.039 local terms energy: -22.889225 where: bonds (distance) C4'-P energy: -6.153 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -51.750402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.750402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.750402 (E_RNA) where: Base-Base interactions energy: -21.335 where: short stacking energy: -21.335 Base-Backbone interact. energy: -0.007 local terms energy: -30.408532 where: bonds (distance) C4'-P energy: -5.114 bonds (distance) P-C4' energy: -5.753 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -5.092 tors. eta vs tors. theta energy: -6.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -40.983341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.983341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.983341 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.020 local terms energy: -29.208699 where: bonds (distance) C4'-P energy: -6.473 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -46.518219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.518219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.518219 (E_RNA) where: Base-Base interactions energy: -13.754 where: short stacking energy: -13.754 Base-Backbone interact. energy: -0.000 local terms energy: -32.764041 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -8.147 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -6.216 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: 4, replica: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -40.578921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.578921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.578921 (E_RNA) where: Base-Base interactions energy: -10.124 where: short stacking energy: -10.124 Base-Backbone interact. energy: -0.000 local terms energy: -30.454597 where: bonds (distance) C4'-P energy: -6.704 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -5.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -39.997236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.997236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.997236 (E_RNA) where: Base-Base interactions energy: -14.471 where: short stacking energy: -14.471 Base-Backbone interact. energy: -0.014 local terms energy: -25.511790 where: bonds (distance) C4'-P energy: -0.162 bonds (distance) P-C4' energy: -8.165 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -5.873 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: 8 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -32.621545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.621545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.621545 (E_RNA) where: Base-Base interactions energy: -10.266 where: short stacking energy: -10.266 Base-Backbone interact. energy: -0.013 local terms energy: -22.342525 where: bonds (distance) C4'-P energy: -5.180 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -2.741 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: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -36.534511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.534511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.534511 (E_RNA) where: Base-Base interactions energy: -12.032 where: short stacking energy: -12.032 Base-Backbone interact. energy: -0.050 local terms energy: -24.451729 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -5.687 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.930 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: 2 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -38.453035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.453035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.453035 (E_RNA) where: Base-Base interactions energy: -12.089 where: short stacking energy: -12.089 Base-Backbone interact. energy: -0.020 local terms energy: -26.344489 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -31.152866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.152866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.152866 (E_RNA) where: Base-Base interactions energy: -5.121 where: short stacking energy: -5.121 Base-Backbone interact. energy: -0.187 local terms energy: -25.844923 where: bonds (distance) C4'-P energy: -6.753 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.584 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: 0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -37.110959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.110959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.110959 (E_RNA) where: Base-Base interactions energy: -7.829 where: short stacking energy: -7.829 Base-Backbone interact. energy: -0.021 local terms energy: -29.260974 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -45.701351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.701351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.701351 (E_RNA) where: Base-Base interactions energy: -13.067 where: short stacking energy: -13.067 Base-Backbone interact. energy: -0.002 local terms energy: -32.633145 where: bonds (distance) C4'-P energy: -7.515 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -4.756 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: 2, replica: 4 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -39.442224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.442224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.442224 (E_RNA) where: Base-Base interactions energy: -13.201 where: short stacking energy: -13.201 Base-Backbone interact. energy: -0.000 local terms energy: -26.241234 where: bonds (distance) C4'-P energy: -5.392 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -1.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -46.754696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.754696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.754696 (E_RNA) where: Base-Base interactions energy: -13.119 where: short stacking energy: -13.119 Base-Backbone interact. energy: -0.000 local terms energy: -33.635093 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -7.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -41.555456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.555456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.555456 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.028 local terms energy: -30.214868 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -36.651371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.651371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.651371 (E_RNA) where: Base-Base interactions energy: -9.544 where: short stacking energy: -9.544 Base-Backbone interact. energy: -0.061 local terms energy: -27.045635 where: bonds (distance) C4'-P energy: -6.127 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -37.792368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.792368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.792368 (E_RNA) where: Base-Base interactions energy: -10.655 where: short stacking energy: -10.655 Base-Backbone interact. energy: -0.096 local terms energy: -27.041351 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -1.830 tors. eta vs tors. theta energy: -1.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -37.774769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.774769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.774769 (E_RNA) where: Base-Base interactions energy: -9.459 where: short stacking energy: -9.459 Base-Backbone interact. energy: -0.001 local terms energy: -28.314649 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -2.682 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: 5 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -33.014648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.014648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.014648 (E_RNA) where: Base-Base interactions energy: -8.831 where: short stacking energy: -8.831 Base-Backbone interact. energy: -0.001 local terms energy: -24.182590 where: bonds (distance) C4'-P energy: -6.446 bonds (distance) P-C4' energy: -7.362 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -4.421 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: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -34.610406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.610406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.610406 (E_RNA) where: Base-Base interactions energy: -7.090 where: short stacking energy: -7.090 Base-Backbone interact. energy: -0.042 local terms energy: -27.478736 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -3.565 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -5.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -28.579944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.579944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.579944 (E_RNA) where: Base-Base interactions energy: -3.457 where: short stacking energy: -3.457 Base-Backbone interact. energy: -0.019 local terms energy: -25.104309 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -6.436 tors. eta vs tors. theta energy: 2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -43.499343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.499343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.499343 (E_RNA) where: Base-Base interactions energy: -14.175 where: short stacking energy: -14.175 Base-Backbone interact. energy: -0.002 local terms energy: -29.322040 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -5.776 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -42.336665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.336665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.336665 (E_RNA) where: Base-Base interactions energy: -12.552 where: short stacking energy: -12.552 Base-Backbone interact. energy: -0.024 local terms energy: -29.760391 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -5.269 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: 3, replica: 4 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -44.738161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.738161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.738161 (E_RNA) where: Base-Base interactions energy: -14.132 where: short stacking energy: -14.132 Base-Backbone interact. energy: -0.038 local terms energy: -30.567837 where: bonds (distance) C4'-P energy: -6.517 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -41.008429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.008429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.008429 (E_RNA) where: Base-Base interactions energy: -11.178 where: short stacking energy: -11.178 Base-Backbone interact. energy: -0.024 local terms energy: -29.806854 where: bonds (distance) C4'-P energy: -6.956 bonds (distance) P-C4' energy: -7.237 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -4.447 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: 5, replica: 7 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -34.400136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.400136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.400136 (E_RNA) where: Base-Base interactions energy: -5.381 where: short stacking energy: -5.381 Base-Backbone interact. energy: -0.000 local terms energy: -29.019347 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -4.259 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: 6, replica: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -31.869753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.869753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.869753 (E_RNA) where: Base-Base interactions energy: -9.728 where: short stacking energy: -9.728 Base-Backbone interact. energy: -0.002 local terms energy: -22.139734 where: bonds (distance) C4'-P energy: -7.594 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -3.890 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: 7, replica: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -38.591272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.591272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.591272 (E_RNA) where: Base-Base interactions energy: -13.491 where: short stacking energy: -13.491 Base-Backbone interact. energy: -0.030 local terms energy: -25.070079 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -4.452 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: 8, replica: 10 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -33.110871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.110871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.110871 (E_RNA) where: Base-Base interactions energy: -4.319 where: short stacking energy: -4.319 Base-Backbone interact. energy: -0.394 local terms energy: -28.397671 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -32.872003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.872003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.872003 (E_RNA) where: Base-Base interactions energy: -5.888 where: short stacking energy: -5.888 Base-Backbone interact. energy: -0.063 local terms energy: -26.920857 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -4.574 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: 10, replica: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -30.017369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.017369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.017369 (E_RNA) where: Base-Base interactions energy: -2.624 where: short stacking energy: -2.624 Base-Backbone interact. energy: -0.243 local terms energy: -27.149857 where: bonds (distance) C4'-P energy: -6.298 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -2.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -46.636339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.636339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.636339 (E_RNA) where: Base-Base interactions energy: -17.610 where: short stacking energy: -17.610 Base-Backbone interact. energy: -0.007 local terms energy: -29.019484 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -7.129 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -6.798 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: 2, replica: 1 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -50.925671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.925671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.925671 (E_RNA) where: Base-Base interactions energy: -21.031 where: short stacking energy: -21.031 Base-Backbone interact. energy: -0.633 local terms energy: -29.262026 where: bonds (distance) C4'-P energy: -6.003 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -6.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -49.547042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.547042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.547042 (E_RNA) where: Base-Base interactions energy: -26.543 where: short stacking energy: -14.607 Base-Backbone interact. energy: -0.013 local terms energy: -22.990717 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -5.392 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -2.170 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: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -38.850447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.850447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.850447 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.073 local terms energy: -27.613256 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -3.934 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -5.651 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -36.494858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.494858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.494858 (E_RNA) where: Base-Base interactions energy: -10.193 where: short stacking energy: -10.193 Base-Backbone interact. energy: -0.019 local terms energy: -26.282531 where: bonds (distance) C4'-P energy: -6.314 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.085 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: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -33.092525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.092525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.092525 (E_RNA) where: Base-Base interactions energy: -8.218 where: short stacking energy: -8.218 Base-Backbone interact. energy: -0.001 local terms energy: -24.873560 where: bonds (distance) C4'-P energy: -6.802 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.799 flat angles P-C4'-P energy: -0.385 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: 7, replica: 10 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -30.557833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.557833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.557833 (E_RNA) where: Base-Base interactions energy: -3.860 where: short stacking energy: -3.860 Base-Backbone interact. energy: -0.180 local terms energy: -26.518247 where: bonds (distance) C4'-P energy: -7.034 bonds (distance) P-C4' energy: -8.418 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -5.063 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: 8, replica: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -31.752082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.752082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.752082 (E_RNA) where: Base-Base interactions energy: -3.703 where: short stacking energy: -3.703 Base-Backbone interact. energy: -0.076 local terms energy: -27.973490 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -7.305 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -35.292629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.292629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.292629 (E_RNA) where: Base-Base interactions energy: -7.411 where: short stacking energy: -7.411 Base-Backbone interact. energy: -0.061 local terms energy: -27.820924 where: bonds (distance) C4'-P energy: -5.702 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -5.633 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: 10, replica: 5 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -34.119927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.119927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.119927 (E_RNA) where: Base-Base interactions energy: -8.906 where: short stacking energy: -8.906 Base-Backbone interact. energy: -0.063 local terms energy: -25.151109 where: bonds (distance) C4'-P energy: -6.927 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -51.396782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.396782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.396782 (E_RNA) where: Base-Base interactions energy: -20.563 where: short stacking energy: -20.563 Base-Backbone interact. energy: -0.000 local terms energy: -30.833377 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -5.552 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -7.533 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: 1 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -46.598444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.598444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.598444 (E_RNA) where: Base-Base interactions energy: -16.925 where: short stacking energy: -16.925 Base-Backbone interact. energy: 1.262 local terms energy: -30.935853 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -5.629 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -6.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -42.286051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.286051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.286051 (E_RNA) where: Base-Base interactions energy: -13.107 where: short stacking energy: -13.107 Base-Backbone interact. energy: -0.000 local terms energy: -29.178613 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -3.810 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: 4, replica: 2 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -46.856118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.856118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.856118 (E_RNA) where: Base-Base interactions energy: -16.479 where: short stacking energy: -16.479 Base-Backbone interact. energy: -0.000 local terms energy: -30.377517 where: bonds (distance) C4'-P energy: -6.315 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -5.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -34.654669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.654669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.654669 (E_RNA) where: Base-Base interactions energy: -9.606 where: short stacking energy: -9.606 Base-Backbone interact. energy: -0.000 local terms energy: -25.048083 where: bonds (distance) C4'-P energy: -6.083 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -36.568487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.568487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.568487 (E_RNA) where: Base-Base interactions energy: -6.187 where: short stacking energy: -6.187 Base-Backbone interact. energy: -0.012 local terms energy: -30.368864 where: bonds (distance) C4'-P energy: -6.099 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -5.780 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: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -32.655934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.655934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.655934 (E_RNA) where: Base-Base interactions energy: -9.422 where: short stacking energy: -3.747 Base-Backbone interact. energy: -0.050 local terms energy: -23.183751 where: bonds (distance) C4'-P energy: -6.190 bonds (distance) P-C4' energy: -7.386 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: 0.448 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: 8, replica: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -29.527676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.527676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.527676 (E_RNA) where: Base-Base interactions energy: -4.978 where: short stacking energy: -6.010 Base-Backbone interact. energy: -0.845 local terms energy: -23.704407 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -3.589 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -31.794823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.794823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.794823 (E_RNA) where: Base-Base interactions energy: -6.037 where: short stacking energy: -6.037 Base-Backbone interact. energy: -0.074 local terms energy: -25.683915 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -6.403 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -4.207 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: 10, replica: 5 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -30.993362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.993362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.993362 (E_RNA) where: Base-Base interactions energy: -3.684 where: short stacking energy: -3.684 Base-Backbone interact. energy: -0.002 local terms energy: -27.307177 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -4.144 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: 1, replica: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -44.660409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.660409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.660409 (E_RNA) where: Base-Base interactions energy: -12.826 where: short stacking energy: -12.826 Base-Backbone interact. energy: -0.003 local terms energy: -31.832029 where: bonds (distance) C4'-P energy: -7.184 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -5.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -45.834108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.834108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.834108 (E_RNA) where: Base-Base interactions energy: -14.235 where: short stacking energy: -13.054 Base-Backbone interact. energy: -0.136 local terms energy: -31.462922 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -5.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -36.408411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.408411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.408411 (E_RNA) where: Base-Base interactions energy: -12.472 where: short stacking energy: -10.658 Base-Backbone interact. energy: -0.048 local terms energy: -23.889295 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -6.840 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -3.300 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: 4, replica: 4 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -45.040322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.040322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.040322 (E_RNA) where: Base-Base interactions energy: -14.102 where: short stacking energy: -14.102 Base-Backbone interact. energy: -0.002 local terms energy: -30.936742 where: bonds (distance) C4'-P energy: -6.778 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -36.138616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.138616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.138616 (E_RNA) where: Base-Base interactions energy: -8.936 where: short stacking energy: -8.936 Base-Backbone interact. energy: 0.039 local terms energy: -27.241535 where: bonds (distance) C4'-P energy: -4.522 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -3.448 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: 6, replica: 8 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -35.095510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.095510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.095510 (E_RNA) where: Base-Base interactions energy: -7.223 where: short stacking energy: -6.876 Base-Backbone interact. energy: -0.021 local terms energy: -27.851874 where: bonds (distance) C4'-P energy: -7.470 bonds (distance) P-C4' energy: -5.811 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -32.929946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.929946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.929946 (E_RNA) where: Base-Base interactions energy: -5.127 where: short stacking energy: -5.127 Base-Backbone interact. energy: -0.078 local terms energy: -27.724524 where: bonds (distance) C4'-P energy: -4.257 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -34.651335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.651335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.651335 (E_RNA) where: Base-Base interactions energy: -6.817 where: short stacking energy: -6.817 Base-Backbone interact. energy: -0.002 local terms energy: -27.832231 where: bonds (distance) C4'-P energy: -6.393 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -4.543 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: 9, replica: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -32.868432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.868432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.868432 (E_RNA) where: Base-Base interactions energy: -5.561 where: short stacking energy: -5.561 Base-Backbone interact. energy: -0.001 local terms energy: -27.307117 where: bonds (distance) C4'-P energy: -5.594 bonds (distance) P-C4' energy: -7.970 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -31.699678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.699678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.699678 (E_RNA) where: Base-Base interactions energy: -7.278 where: short stacking energy: -7.193 Base-Backbone interact. energy: -1.156 local terms energy: -23.265980 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -1.246 flat angles P-C4'-P energy: -4.266 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: 1, replica: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -44.677165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.677165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.677165 (E_RNA) where: Base-Base interactions energy: -14.958 where: short stacking energy: -14.958 Base-Backbone interact. energy: -0.003 local terms energy: -29.716088 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -7.305 flat angles P-C4'-P energy: -5.207 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: 2, replica: 3 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -42.493862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.493862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.493862 (E_RNA) where: Base-Base interactions energy: -13.209 where: short stacking energy: -13.209 Base-Backbone interact. energy: -0.121 local terms energy: -29.163248 where: bonds (distance) C4'-P energy: -5.409 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -39.910605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.910605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.910605 (E_RNA) where: Base-Base interactions energy: -8.858 where: short stacking energy: -8.858 Base-Backbone interact. energy: -0.029 local terms energy: -31.023666 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -6.446 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -39.106895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.106895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.106895 (E_RNA) where: Base-Base interactions energy: -11.532 where: short stacking energy: -11.532 Base-Backbone interact. energy: -0.000 local terms energy: -27.574512 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -2.577 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -37.752759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.752759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.752759 (E_RNA) where: Base-Base interactions energy: -10.685 where: short stacking energy: -10.685 Base-Backbone interact. energy: -0.219 local terms energy: -26.849025 where: bonds (distance) C4'-P energy: -4.712 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -3.204 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: 9 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -34.981049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.981049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.981049 (E_RNA) where: Base-Base interactions energy: -8.489 where: short stacking energy: -8.489 Base-Backbone interact. energy: -0.110 local terms energy: -26.381535 where: bonds (distance) C4'-P energy: -7.292 bonds (distance) P-C4' energy: -7.301 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -33.663508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.663508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.663508 (E_RNA) where: Base-Base interactions energy: -10.380 where: short stacking energy: -10.380 Base-Backbone interact. energy: -0.000 local terms energy: -23.283413 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -7.945 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -3.695 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: 8, replica: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -31.237815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.237815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.237815 (E_RNA) where: Base-Base interactions energy: -6.681 where: short stacking energy: -6.681 Base-Backbone interact. energy: -0.056 local terms energy: -24.500828 where: bonds (distance) C4'-P energy: -5.548 bonds (distance) P-C4' energy: -5.693 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -6.069 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: 9, replica: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -34.908210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.908210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.908210 (E_RNA) where: Base-Base interactions energy: -7.944 where: short stacking energy: -7.944 Base-Backbone interact. energy: -0.140 local terms energy: -26.825078 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -3.093 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -31.172197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.172197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.172197 (E_RNA) where: Base-Base interactions energy: -6.476 where: short stacking energy: -6.476 Base-Backbone interact. energy: -0.057 local terms energy: -24.639428 where: bonds (distance) C4'-P energy: -3.330 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -0.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -44.965188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.965188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.965188 (E_RNA) where: Base-Base interactions energy: -15.923 where: short stacking energy: -14.938 Base-Backbone interact. energy: -0.001 local terms energy: -29.041448 where: bonds (distance) C4'-P energy: -5.043 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -4.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -43.220685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.220685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.220685 (E_RNA) where: Base-Base interactions energy: -12.979 where: short stacking energy: -12.979 Base-Backbone interact. energy: -0.000 local terms energy: -30.241349 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.103 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -48.687471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.687471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.687471 (E_RNA) where: Base-Base interactions energy: -13.945 where: short stacking energy: -13.945 Base-Backbone interact. energy: -0.067 local terms energy: -34.676091 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -8.597 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -36.178714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.178714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.178714 (E_RNA) where: Base-Base interactions energy: -7.908 where: short stacking energy: -7.908 Base-Backbone interact. energy: -0.002 local terms energy: -28.269258 where: bonds (distance) C4'-P energy: -5.817 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -39.898622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.898622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.898622 (E_RNA) where: Base-Base interactions energy: -9.864 where: short stacking energy: -9.864 Base-Backbone interact. energy: -0.001 local terms energy: -30.034132 where: bonds (distance) C4'-P energy: -7.958 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -35.005546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.005546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.005546 (E_RNA) where: Base-Base interactions energy: -6.321 where: short stacking energy: -6.321 Base-Backbone interact. energy: -0.024 local terms energy: -28.661237 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -4.949 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: 8 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -33.005283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.005283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.005283 (E_RNA) where: Base-Base interactions energy: -6.140 where: short stacking energy: -6.140 Base-Backbone interact. energy: -0.079 local terms energy: -26.786641 where: bonds (distance) C4'-P energy: -4.741 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -7.799 flat angles P-C4'-P energy: -4.616 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: 8, replica: 10 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -32.993160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.993160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.993160 (E_RNA) where: Base-Base interactions energy: -7.748 where: short stacking energy: -7.748 Base-Backbone interact. energy: -0.090 local terms energy: -25.154276 where: bonds (distance) C4'-P energy: -5.731 bonds (distance) P-C4' energy: -8.683 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -32.674497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.674497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.674497 (E_RNA) where: Base-Base interactions energy: -9.486 where: short stacking energy: -9.486 Base-Backbone interact. energy: -0.001 local terms energy: -23.188338 where: bonds (distance) C4'-P energy: -6.473 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -1.291 tors. eta vs tors. theta energy: -3.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -32.138877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.138877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.138877 (E_RNA) where: Base-Base interactions energy: -8.138 where: short stacking energy: -8.138 Base-Backbone interact. energy: -0.057 local terms energy: -23.944112 where: bonds (distance) C4'-P energy: -7.531 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -1.236 tors. eta vs tors. theta energy: -0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -45.272760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.272760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.272760 (E_RNA) where: Base-Base interactions energy: -15.000 where: short stacking energy: -15.000 Base-Backbone interact. energy: -0.000 local terms energy: -30.272240 where: bonds (distance) C4'-P energy: -4.884 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -6.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -45.955498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.955498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.955498 (E_RNA) where: Base-Base interactions energy: -16.112 where: short stacking energy: -16.112 Base-Backbone interact. energy: -0.000 local terms energy: -29.843722 where: bonds (distance) C4'-P energy: -5.142 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -6.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -45.649939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.649939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.649939 (E_RNA) where: Base-Base interactions energy: -14.488 where: short stacking energy: -14.488 Base-Backbone interact. energy: -0.000 local terms energy: -31.162346 where: bonds (distance) C4'-P energy: -7.701 bonds (distance) P-C4' energy: -7.184 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -5.694 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: 4, replica: 9 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -37.931853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.931853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.931853 (E_RNA) where: Base-Base interactions energy: -10.306 where: short stacking energy: -10.306 Base-Backbone interact. energy: -0.000 local terms energy: -27.625913 where: bonds (distance) C4'-P energy: -5.818 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -4.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -39.130788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.130788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.130788 (E_RNA) where: Base-Base interactions energy: -12.646 where: short stacking energy: -12.646 Base-Backbone interact. energy: -0.005 local terms energy: -26.479984 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.770 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -4.735 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: 6, replica: 8 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -37.279200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.279200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.279200 (E_RNA) where: Base-Base interactions energy: -10.938 where: short stacking energy: -10.938 Base-Backbone interact. energy: -0.081 local terms energy: -26.260177 where: bonds (distance) C4'-P energy: -5.880 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.415 flat angles P-C4'-P energy: -4.904 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: 7, replica: 7 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -33.107631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.107631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.107631 (E_RNA) where: Base-Base interactions energy: -5.650 where: short stacking energy: -5.650 Base-Backbone interact. energy: -0.040 local terms energy: -27.417543 where: bonds (distance) C4'-P energy: -5.843 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -3.278 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: 8, replica: 5 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -32.334063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.334063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.334063 (E_RNA) where: Base-Base interactions energy: -6.758 where: short stacking energy: -6.136 Base-Backbone interact. energy: -0.099 local terms energy: -25.476969 where: bonds (distance) C4'-P energy: -6.041 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -4.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -35.000602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.000602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.000602 (E_RNA) where: Base-Base interactions energy: -11.511 where: short stacking energy: -11.511 Base-Backbone interact. energy: -0.092 local terms energy: -23.397803 where: bonds (distance) C4'-P energy: -3.768 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -2.388 tors. eta vs tors. theta energy: -3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -31.680987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.680987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.680987 (E_RNA) where: Base-Base interactions energy: -7.503 where: short stacking energy: -7.503 Base-Backbone interact. energy: -0.017 local terms energy: -24.160697 where: bonds (distance) C4'-P energy: -5.677 bonds (distance) P-C4' energy: -6.449 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -48.600916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.600916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.600916 (E_RNA) where: Base-Base interactions energy: -16.853 where: short stacking energy: -16.853 Base-Backbone interact. energy: -0.313 local terms energy: -31.435302 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -4.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -44.087409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.087409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.087409 (E_RNA) where: Base-Base interactions energy: -12.916 where: short stacking energy: -12.916 Base-Backbone interact. energy: -0.081 local terms energy: -31.090113 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -6.433 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -39.919963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.919963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.919963 (E_RNA) where: Base-Base interactions energy: -12.978 where: short stacking energy: -12.978 Base-Backbone interact. energy: -0.119 local terms energy: -26.822387 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.800 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: 4, replica: 2 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -34.198810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.198810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.198810 (E_RNA) where: Base-Base interactions energy: -7.827 where: short stacking energy: -7.495 Base-Backbone interact. energy: -0.014 local terms energy: -26.357766 where: bonds (distance) C4'-P energy: -6.119 bonds (distance) P-C4' energy: -8.229 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -5.929 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: 5, replica: 8 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -40.297246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.297246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.297246 (E_RNA) where: Base-Base interactions energy: -9.783 where: short stacking energy: -9.783 Base-Backbone interact. energy: -0.923 local terms energy: -29.591034 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -1.749 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -38.829862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.829862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.829862 (E_RNA) where: Base-Base interactions energy: -7.584 where: short stacking energy: -7.584 Base-Backbone interact. energy: -0.001 local terms energy: -31.244268 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -4.665 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: 7, replica: 7 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -32.876559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.876559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.876559 (E_RNA) where: Base-Base interactions energy: -2.440 where: short stacking energy: -2.440 Base-Backbone interact. energy: -0.098 local terms energy: -30.338978 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -7.914 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -4.814 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: 8, replica: 5 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -33.314594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.314594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.314594 (E_RNA) where: Base-Base interactions energy: -9.147 where: short stacking energy: -7.368 Base-Backbone interact. energy: -0.197 local terms energy: -23.970542 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -3.222 flat angles P-C4'-P energy: -4.661 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: 9, replica: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -31.664791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.664791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.664791 (E_RNA) where: Base-Base interactions energy: -10.848 where: short stacking energy: -10.848 Base-Backbone interact. energy: -0.119 local terms energy: -20.697401 where: bonds (distance) C4'-P energy: -4.671 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -4.656 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: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -30.394803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.394803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.394803 (E_RNA) where: Base-Base interactions energy: -8.284 where: short stacking energy: -8.284 Base-Backbone interact. energy: -0.100 local terms energy: -22.010488 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -5.224 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -43.972262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.972262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.972262 (E_RNA) where: Base-Base interactions energy: -14.684 where: short stacking energy: -14.684 Base-Backbone interact. energy: -0.116 local terms energy: -29.172254 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.887 flat angles P-C4'-P energy: -4.552 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: 2, replica: 9 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -45.586542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.586542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.586542 (E_RNA) where: Base-Base interactions energy: -17.370 where: short stacking energy: -17.370 Base-Backbone interact. energy: -0.043 local terms energy: -28.173490 where: bonds (distance) C4'-P energy: -5.320 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -5.403 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: 3, replica: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -42.293039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.293039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.293039 (E_RNA) where: Base-Base interactions energy: -12.539 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.347 local terms energy: -29.407510 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -47.834513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.834513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.834513 (E_RNA) where: Base-Base interactions energy: -15.749 where: short stacking energy: -15.749 Base-Backbone interact. energy: -0.043 local terms energy: -32.041906 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.380 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -5.014 tors. eta vs tors. theta energy: -6.284 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: 2 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -41.667886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.667886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.667886 (E_RNA) where: Base-Base interactions energy: -13.224 where: short stacking energy: -13.224 Base-Backbone interact. energy: -0.065 local terms energy: -28.378933 where: bonds (distance) C4'-P energy: -6.091 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -4.780 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: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -32.078485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.078485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.078485 (E_RNA) where: Base-Base interactions energy: -7.057 where: short stacking energy: -7.057 Base-Backbone interact. energy: -0.040 local terms energy: -24.981251 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.561 flat angles P-C4'-P energy: -5.187 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: 7, replica: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -37.803778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.803778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.803778 (E_RNA) where: Base-Base interactions energy: -10.467 where: short stacking energy: -10.467 Base-Backbone interact. energy: -0.009 local terms energy: -27.327696 where: bonds (distance) C4'-P energy: -6.199 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -35.329741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.329741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.329741 (E_RNA) where: Base-Base interactions energy: -1.527 where: short stacking energy: -1.527 Base-Backbone interact. energy: -0.024 local terms energy: -33.779245 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -6.995 tors. eta vs tors. theta energy: -2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -28.468805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.468805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.468805 (E_RNA) where: Base-Base interactions energy: -4.577 where: short stacking energy: -4.577 Base-Backbone interact. energy: -0.015 local terms energy: -23.876008 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: 1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -28.268680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.268680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.268680 (E_RNA) where: Base-Base interactions energy: -5.916 where: short stacking energy: -5.916 Base-Backbone interact. energy: -0.100 local terms energy: -22.252632 where: bonds (distance) C4'-P energy: -6.137 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -45.793592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.793592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.793592 (E_RNA) where: Base-Base interactions energy: -12.561 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.000 local terms energy: -33.232717 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -5.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -47.672483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.672483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.672483 (E_RNA) where: Base-Base interactions energy: -17.525 where: short stacking energy: -17.594 Base-Backbone interact. energy: -0.090 local terms energy: -30.057540 where: bonds (distance) C4'-P energy: -5.888 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -40.831905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.831905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.831905 (E_RNA) where: Base-Base interactions energy: -12.355 where: short stacking energy: -12.355 Base-Backbone interact. energy: -0.116 local terms energy: -28.360968 where: bonds (distance) C4'-P energy: -5.540 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -45.019969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.019969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.019969 (E_RNA) where: Base-Base interactions energy: -16.445 where: short stacking energy: -16.445 Base-Backbone interact. energy: -0.000 local terms energy: -28.575263 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -5.574 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: 5, replica: 7 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -36.797719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.797719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.797719 (E_RNA) where: Base-Base interactions energy: -9.368 where: short stacking energy: -8.898 Base-Backbone interact. energy: 0.085 local terms energy: -27.515207 where: bonds (distance) C4'-P energy: -4.352 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -37.048981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.048981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.048981 (E_RNA) where: Base-Base interactions energy: -8.469 where: short stacking energy: -8.469 Base-Backbone interact. energy: -0.092 local terms energy: -28.488887 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -4.923 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: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -32.319623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.319623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.319623 (E_RNA) where: Base-Base interactions energy: -7.231 where: short stacking energy: -7.231 Base-Backbone interact. energy: -0.083 local terms energy: -25.005952 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -5.852 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: 8, replica: 4 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -34.847468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.847468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.847468 (E_RNA) where: Base-Base interactions energy: -7.241 where: short stacking energy: -6.838 Base-Backbone interact. energy: -0.112 local terms energy: -27.494660 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -4.587 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: 9, replica: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -31.056335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.056335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.056335 (E_RNA) where: Base-Base interactions energy: -8.203 where: short stacking energy: -8.203 Base-Backbone interact. energy: -0.056 local terms energy: -22.797020 where: bonds (distance) C4'-P energy: -6.698 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -2.494 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: 10, replica: 5 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -28.291856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.291856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.291856 (E_RNA) where: Base-Base interactions energy: -7.286 where: short stacking energy: -7.286 Base-Backbone interact. energy: -0.100 local terms energy: -20.905713 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -6.504 flat angles C4'-P-C4' energy: -3.468 flat angles P-C4'-P energy: -2.410 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: 1, replica: 9 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -44.567676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.567676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.567676 (E_RNA) where: Base-Base interactions energy: -13.857 where: short stacking energy: -13.857 Base-Backbone interact. energy: -0.041 local terms energy: -30.670017 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -4.771 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: 2, replica: 8 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -41.228323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.228323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.228323 (E_RNA) where: Base-Base interactions energy: -11.935 where: short stacking energy: -11.356 Base-Backbone interact. energy: -0.107 local terms energy: -29.185691 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -4.961 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -5.011 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: 3, replica: 1 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -40.437700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.437700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.437700 (E_RNA) where: Base-Base interactions energy: -13.525 where: short stacking energy: -13.525 Base-Backbone interact. energy: -0.140 local terms energy: -26.773331 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -5.180 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: 4, replica: 7 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -39.954624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.954624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.954624 (E_RNA) where: Base-Base interactions energy: -13.930 where: short stacking energy: -13.930 Base-Backbone interact. energy: -0.106 local terms energy: -25.918573 where: bonds (distance) C4'-P energy: -6.169 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -1.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -36.403864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.403864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.403864 (E_RNA) where: Base-Base interactions energy: -8.986 where: short stacking energy: -8.986 Base-Backbone interact. energy: -0.063 local terms energy: -27.354214 where: bonds (distance) C4'-P energy: -5.809 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -3.217 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -4.393 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: 2 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -34.886191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.886191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.886191 (E_RNA) where: Base-Base interactions energy: -7.034 where: short stacking energy: -7.034 Base-Backbone interact. energy: -0.093 local terms energy: -27.758763 where: bonds (distance) C4'-P energy: -6.136 bonds (distance) P-C4' energy: -7.316 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -33.637423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.637423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.637423 (E_RNA) where: Base-Base interactions energy: -7.596 where: short stacking energy: -7.596 Base-Backbone interact. energy: -0.041 local terms energy: -26.000062 where: bonds (distance) C4'-P energy: -2.907 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -4.997 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: 8, replica: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -32.534504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.534504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.534504 (E_RNA) where: Base-Base interactions energy: -4.926 where: short stacking energy: -4.334 Base-Backbone interact. energy: -0.167 local terms energy: -27.442018 where: bonds (distance) C4'-P energy: -5.561 bonds (distance) P-C4' energy: -8.233 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -37.279731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.279731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.279731 (E_RNA) where: Base-Base interactions energy: -9.079 where: short stacking energy: -9.079 Base-Backbone interact. energy: -0.061 local terms energy: -28.140397 where: bonds (distance) C4'-P energy: -6.704 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -32.631786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.631786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.631786 (E_RNA) where: Base-Base interactions energy: -8.354 where: short stacking energy: -6.794 Base-Backbone interact. energy: -0.099 local terms energy: -24.178994 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -5.688 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -5.281 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: 1, replica: 9 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -44.793020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.793020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.793020 (E_RNA) where: Base-Base interactions energy: -12.826 where: short stacking energy: -12.826 Base-Backbone interact. energy: -0.000 local terms energy: -31.966450 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -46.871801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.871801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.871801 (E_RNA) where: Base-Base interactions energy: -14.778 where: short stacking energy: -14.778 Base-Backbone interact. energy: -0.004 local terms energy: -32.089294 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -7.314 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: 7 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -38.828786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.828786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.828786 (E_RNA) where: Base-Base interactions energy: -9.842 where: short stacking energy: -9.842 Base-Backbone interact. energy: -0.754 local terms energy: -28.232728 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -7.376 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -5.567 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: 4, replica: 1 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -34.102218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.102218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.102218 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.119 local terms energy: -22.747579 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -36.037463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.037463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.037463 (E_RNA) where: Base-Base interactions energy: -6.511 where: short stacking energy: -6.511 Base-Backbone interact. energy: -0.001 local terms energy: -29.526131 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -38.155028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.155028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.155028 (E_RNA) where: Base-Base interactions energy: -13.740 where: short stacking energy: -13.740 Base-Backbone interact. energy: -0.422 local terms energy: -23.993065 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -3.985 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: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -35.982475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.982475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.982475 (E_RNA) where: Base-Base interactions energy: -9.495 where: short stacking energy: -9.495 Base-Backbone interact. energy: -0.002 local terms energy: -26.484888 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -7.840 flat angles P-C4'-P energy: -1.183 tors. eta vs tors. theta energy: -4.633 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: 6 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -37.304613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.304613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.304613 (E_RNA) where: Base-Base interactions energy: -6.248 where: short stacking energy: -6.248 Base-Backbone interact. energy: -0.000 local terms energy: -31.056620 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -4.349 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: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -33.044859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.044859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.044859 (E_RNA) where: Base-Base interactions energy: -7.148 where: short stacking energy: -6.146 Base-Backbone interact. energy: -0.001 local terms energy: -25.896469 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -1.748 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: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -33.210325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.210325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.210325 (E_RNA) where: Base-Base interactions energy: -8.974 where: short stacking energy: -8.974 Base-Backbone interact. energy: -0.790 local terms energy: -23.446089 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -2.542 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: 491 Temperature: 0.900000 Total energy: -46.208036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.208036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.208036 (E_RNA) where: Base-Base interactions energy: -17.518 where: short stacking energy: -17.518 Base-Backbone interact. energy: -0.006 local terms energy: -28.683560 where: bonds (distance) C4'-P energy: -5.214 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -4.700 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: 2, replica: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -42.363233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.363233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.363233 (E_RNA) where: Base-Base interactions energy: -13.112 where: short stacking energy: -13.112 Base-Backbone interact. energy: -0.065 local terms energy: -29.186380 where: bonds (distance) C4'-P energy: -7.424 bonds (distance) P-C4' energy: -6.703 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -4.712 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: 491 Temperature: 1.000000 Total energy: -42.003423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.003423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.003423 (E_RNA) where: Base-Base interactions energy: -9.310 where: short stacking energy: -9.310 Base-Backbone interact. energy: -0.001 local terms energy: -32.693164 where: bonds (distance) C4'-P energy: -7.834 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -6.450 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: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -42.965291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.965291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.965291 (E_RNA) where: Base-Base interactions energy: -11.148 where: short stacking energy: -10.243 Base-Backbone interact. energy: -0.096 local terms energy: -31.721875 where: bonds (distance) C4'-P energy: -7.130 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -7.309 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: 5, replica: 1 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -34.704878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.704878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.704878 (E_RNA) where: Base-Base interactions energy: -8.704 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.101 local terms energy: -25.900624 where: bonds (distance) C4'-P energy: -6.998 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -37.142224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.142224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.142224 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -9.515 Base-Backbone interact. energy: -0.078 local terms energy: -26.460410 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -6.783 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.077 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: 7, replica: 3 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -31.720335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.720335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.720335 (E_RNA) where: Base-Base interactions energy: -4.178 where: short stacking energy: -4.178 Base-Backbone interact. energy: -0.025 local terms energy: -27.517257 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -37.388744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.388744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.388744 (E_RNA) where: Base-Base interactions energy: -11.302 where: short stacking energy: -11.302 Base-Backbone interact. energy: -0.013 local terms energy: -26.073756 where: bonds (distance) C4'-P energy: -3.653 bonds (distance) P-C4' energy: -6.277 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -4.015 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: 491 Temperature: 1.300000 Total energy: -28.876551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.876551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.876551 (E_RNA) where: Base-Base interactions energy: -2.616 where: short stacking energy: -2.616 Base-Backbone interact. energy: -0.000 local terms energy: -26.260222 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -5.046 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: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -32.558954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.558954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.558954 (E_RNA) where: Base-Base interactions energy: -8.802 where: short stacking energy: -8.802 Base-Backbone interact. energy: -0.191 local terms energy: -23.566324 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.647 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: 0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -51.119744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.119744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.119744 (E_RNA) where: Base-Base interactions energy: -18.949 where: short stacking energy: -18.949 Base-Backbone interact. energy: -0.071 local terms energy: -32.099891 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -4.336 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: 2, replica: 9 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -47.541784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.541784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.541784 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.069 local terms energy: -31.844182 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.824 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -7.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -45.061973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.061973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.061973 (E_RNA) where: Base-Base interactions energy: -15.017 where: short stacking energy: -15.017 Base-Backbone interact. energy: -0.087 local terms energy: -29.957886 where: bonds (distance) C4'-P energy: -4.746 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -6.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -42.764043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.764043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.764043 (E_RNA) where: Base-Base interactions energy: -12.704 where: short stacking energy: -11.140 Base-Backbone interact. energy: -0.002 local terms energy: -30.057768 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -4.837 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: 5, replica: 10 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -37.381081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.381081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.381081 (E_RNA) where: Base-Base interactions energy: -10.434 where: short stacking energy: -10.434 Base-Backbone interact. energy: -0.001 local terms energy: -26.945813 where: bonds (distance) C4'-P energy: -7.163 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -40.347296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.347296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.347296 (E_RNA) where: Base-Base interactions energy: -9.921 where: short stacking energy: -9.921 Base-Backbone interact. energy: -0.059 local terms energy: -30.367311 where: bonds (distance) C4'-P energy: -6.543 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -4.377 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: 7, replica: 6 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -35.670938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.670938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.670938 (E_RNA) where: Base-Base interactions energy: -9.006 where: short stacking energy: -9.006 Base-Backbone interact. energy: -0.023 local terms energy: -26.641044 where: bonds (distance) C4'-P energy: -6.050 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -5.894 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: 8, replica: 3 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -31.884647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.884647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.884647 (E_RNA) where: Base-Base interactions energy: -5.500 where: short stacking energy: -5.500 Base-Backbone interact. energy: -0.082 local terms energy: -26.302606 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.408 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: 9, replica: 4 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -32.738746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.738746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.738746 (E_RNA) where: Base-Base interactions energy: -3.955 where: short stacking energy: -3.699 Base-Backbone interact. energy: -0.101 local terms energy: -28.682820 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -32.287824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.287824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.287824 (E_RNA) where: Base-Base interactions energy: -6.934 where: short stacking energy: -6.934 Base-Backbone interact. energy: -0.491 local terms energy: -24.862719 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -5.538 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: 1, replica: 7 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -43.170595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.170595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.170595 (E_RNA) where: Base-Base interactions energy: -14.363 where: short stacking energy: -14.327 Base-Backbone interact. energy: -0.000 local terms energy: -28.806938 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -7.132 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -36.565742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.565742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.565742 (E_RNA) where: Base-Base interactions energy: -8.434 where: short stacking energy: -8.434 Base-Backbone interact. energy: -0.130 local terms energy: -28.001126 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -5.639 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: 3, replica: 9 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -47.383960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.383960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.383960 (E_RNA) where: Base-Base interactions energy: -16.187 where: short stacking energy: -16.187 Base-Backbone interact. energy: -0.076 local terms energy: -31.120120 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -7.119 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: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -43.850216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.850216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.850216 (E_RNA) where: Base-Base interactions energy: -14.273 where: short stacking energy: -12.879 Base-Backbone interact. energy: -0.134 local terms energy: -29.443127 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -3.577 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: 5, replica: 10 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -39.338655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.338655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.338655 (E_RNA) where: Base-Base interactions energy: -9.119 where: short stacking energy: -9.119 Base-Backbone interact. energy: -0.052 local terms energy: -30.168330 where: bonds (distance) C4'-P energy: -6.111 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -5.716 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: 6, replica: 6 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -39.358118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.358118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.358118 (E_RNA) where: Base-Base interactions energy: -10.035 where: short stacking energy: -10.035 Base-Backbone interact. energy: -0.000 local terms energy: -29.322864 where: bonds (distance) C4'-P energy: -5.433 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -6.151 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: 7, replica: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -33.748785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.748785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.748785 (E_RNA) where: Base-Base interactions energy: -8.986 where: short stacking energy: -8.986 Base-Backbone interact. energy: -0.806 local terms energy: -23.956340 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -33.182613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.182613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.182613 (E_RNA) where: Base-Base interactions energy: -8.165 where: short stacking energy: -8.287 Base-Backbone interact. energy: -0.001 local terms energy: -25.016489 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -6.896 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -5.178 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: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -34.280916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.280916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.280916 (E_RNA) where: Base-Base interactions energy: -8.978 where: short stacking energy: -8.978 Base-Backbone interact. energy: -0.000 local terms energy: -25.302689 where: bonds (distance) C4'-P energy: -5.905 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -1.428 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -5.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -31.894088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.894088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.894088 (E_RNA) where: Base-Base interactions energy: -7.382 where: short stacking energy: -7.382 Base-Backbone interact. energy: -0.005 local terms energy: -24.507570 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -4.333 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: 2 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -39.614024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.614024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.614024 (E_RNA) where: Base-Base interactions energy: -12.286 where: short stacking energy: -12.226 Base-Backbone interact. energy: -0.006 local terms energy: -27.322152 where: bonds (distance) C4'-P energy: -7.354 bonds (distance) P-C4' energy: -7.393 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -3.947 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: 2, replica: 7 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -44.063727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.063727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.063727 (E_RNA) where: Base-Base interactions energy: -12.319 where: short stacking energy: -12.319 Base-Backbone interact. energy: -0.001 local terms energy: -31.743315 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -8.916 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -4.799 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: 3, replica: 9 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -40.676193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.676193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.676193 (E_RNA) where: Base-Base interactions energy: -13.674 where: short stacking energy: -13.674 Base-Backbone interact. energy: -0.107 local terms energy: -26.894927 where: bonds (distance) C4'-P energy: -6.260 bonds (distance) P-C4' energy: -3.977 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -5.450 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: 4, replica: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -39.145272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.145272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.145272 (E_RNA) where: Base-Base interactions energy: -7.052 where: short stacking energy: -7.052 Base-Backbone interact. energy: -0.182 local terms energy: -31.911419 where: bonds (distance) C4'-P energy: -7.788 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -5.320 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: 5, replica: 6 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -37.824952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.824952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.824952 (E_RNA) where: Base-Base interactions energy: -12.289 where: short stacking energy: -11.874 Base-Backbone interact. energy: -0.000 local terms energy: -25.535928 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -1.599 tors. eta vs tors. theta energy: -3.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -38.242179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.242179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.242179 (E_RNA) where: Base-Base interactions energy: -7.316 where: short stacking energy: -7.316 Base-Backbone interact. energy: -0.012 local terms energy: -30.913548 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -5.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -37.920657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.920657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.920657 (E_RNA) where: Base-Base interactions energy: -10.021 where: short stacking energy: -10.021 Base-Backbone interact. energy: -0.001 local terms energy: -27.899252 where: bonds (distance) C4'-P energy: -7.755 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -4.248 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: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -40.432083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.432083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.432083 (E_RNA) where: Base-Base interactions energy: -12.492 where: short stacking energy: -10.754 Base-Backbone interact. energy: -0.024 local terms energy: -27.916036 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -32.358859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.358859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.358859 (E_RNA) where: Base-Base interactions energy: -2.563 where: short stacking energy: -3.808 Base-Backbone interact. energy: -1.049 local terms energy: -28.746242 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -33.776892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.776892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.776892 (E_RNA) where: Base-Base interactions energy: -7.752 where: short stacking energy: -7.752 Base-Backbone interact. energy: -0.020 local terms energy: -26.004454 where: bonds (distance) C4'-P energy: -5.064 bonds (distance) P-C4' energy: -8.923 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -47.424635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.424635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.424635 (E_RNA) where: Base-Base interactions energy: -14.040 where: short stacking energy: -13.691 Base-Backbone interact. energy: 0.178 local terms energy: -33.563071 where: bonds (distance) C4'-P energy: -6.029 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -8.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -42.587810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.587810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.587810 (E_RNA) where: Base-Base interactions energy: -14.011 where: short stacking energy: -13.071 Base-Backbone interact. energy: -0.036 local terms energy: -28.540079 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -6.399 flat angles C4'-P-C4' energy: -6.315 flat angles P-C4'-P energy: -5.668 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: 3, replica: 7 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -50.592265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.592265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.592265 (E_RNA) where: Base-Base interactions energy: -16.018 where: short stacking energy: -16.018 Base-Backbone interact. energy: -0.100 local terms energy: -34.474868 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -6.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -37.360453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.360453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.360453 (E_RNA) where: Base-Base interactions energy: -10.755 where: short stacking energy: -10.755 Base-Backbone interact. energy: -0.087 local terms energy: -26.518059 where: bonds (distance) C4'-P energy: -7.486 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -42.730601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.730601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.730601 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.000 local terms energy: -29.483086 where: bonds (distance) C4'-P energy: -4.977 bonds (distance) P-C4' energy: -5.334 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -5.499 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: 6, replica: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -36.485197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.485197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.485197 (E_RNA) where: Base-Base interactions energy: -10.839 where: short stacking energy: -10.839 Base-Backbone interact. energy: -0.115 local terms energy: -25.531885 where: bonds (distance) C4'-P energy: -4.477 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -5.518 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: 7, replica: 10 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -36.142761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.142761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.142761 (E_RNA) where: Base-Base interactions energy: -9.073 where: short stacking energy: -9.073 Base-Backbone interact. energy: -0.093 local terms energy: -26.976359 where: bonds (distance) C4'-P energy: -6.165 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -34.271254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.271254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.271254 (E_RNA) where: Base-Base interactions energy: -4.500 where: short stacking energy: -3.087 Base-Backbone interact. energy: -1.562 local terms energy: -28.209120 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.464 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -31.248030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.248030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.248030 (E_RNA) where: Base-Base interactions energy: -5.564 where: short stacking energy: -5.564 Base-Backbone interact. energy: -0.066 local terms energy: -25.617527 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -1.431 tors. eta vs tors. theta energy: -1.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -32.328615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.328615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.328615 (E_RNA) where: Base-Base interactions energy: -7.908 where: short stacking energy: -7.908 Base-Backbone interact. energy: -0.002 local terms energy: -24.418042 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -7.734 flat angles P-C4'-P energy: -1.677 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: 1, replica: 9 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -49.720562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.720562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.720562 (E_RNA) where: Base-Base interactions energy: -17.450 where: short stacking energy: -17.450 Base-Backbone interact. energy: -0.168 local terms energy: -32.102525 where: bonds (distance) C4'-P energy: -6.335 bonds (distance) P-C4' energy: -5.256 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -5.881 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: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -40.865868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.865868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.865868 (E_RNA) where: Base-Base interactions energy: -12.874 where: short stacking energy: -12.874 Base-Backbone interact. energy: -0.103 local terms energy: -27.888622 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -48.698349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.698349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.698349 (E_RNA) where: Base-Base interactions energy: -19.211 where: short stacking energy: -19.211 Base-Backbone interact. energy: -0.000 local terms energy: -29.487549 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -4.473 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: 7 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -45.061183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.061183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.061183 (E_RNA) where: Base-Base interactions energy: -13.740 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.018 local terms energy: -31.303862 where: bonds (distance) C4'-P energy: -6.563 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -6.580 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -43.299391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.299391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.299391 (E_RNA) where: Base-Base interactions energy: -15.074 where: short stacking energy: -15.242 Base-Backbone interact. energy: -0.000 local terms energy: -28.225173 where: bonds (distance) C4'-P energy: -6.935 bonds (distance) P-C4' energy: -5.746 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -32.532958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.532958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.532958 (E_RNA) where: Base-Base interactions energy: -12.205 where: short stacking energy: -11.458 Base-Backbone interact. energy: -0.028 local terms energy: -20.299906 where: bonds (distance) C4'-P energy: -5.135 bonds (distance) P-C4' energy: -6.178 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -4.509 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: 7, replica: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -34.911654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.911654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.911654 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -5.309 Base-Backbone interact. energy: -0.145 local terms energy: -27.257304 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -7.445 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -4.568 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: 8, replica: 10 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -30.602197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.602197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.602197 (E_RNA) where: Base-Base interactions energy: -6.452 where: short stacking energy: -6.977 Base-Backbone interact. energy: -0.016 local terms energy: -24.133898 where: bonds (distance) C4'-P energy: -4.050 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -3.531 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: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -36.843209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.843209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.843209 (E_RNA) where: Base-Base interactions energy: -14.605 where: short stacking energy: -12.664 Base-Backbone interact. energy: -0.061 local terms energy: -22.176745 where: bonds (distance) C4'-P energy: -6.732 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -3.406 flat angles P-C4'-P energy: -2.076 tors. eta vs tors. theta energy: -4.137 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: 496 Temperature: 1.350000 Total energy: -31.637043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.637043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.637043 (E_RNA) where: Base-Base interactions energy: -5.803 where: short stacking energy: -5.803 Base-Backbone interact. energy: -0.016 local terms energy: -25.817928 where: bonds (distance) C4'-P energy: -3.963 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -3.872 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: 1, replica: 9 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -45.767409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.767409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.767409 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -1.254 local terms energy: -30.443430 where: bonds (distance) C4'-P energy: -4.299 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -6.685 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: 2 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -38.835958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.835958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.835958 (E_RNA) where: Base-Base interactions energy: -12.279 where: short stacking energy: -12.279 Base-Backbone interact. energy: -0.006 local terms energy: -26.550496 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -6.110 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -4.760 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: 8 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -34.831625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.831625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.831625 (E_RNA) where: Base-Base interactions energy: -9.636 where: short stacking energy: -9.636 Base-Backbone interact. energy: -0.001 local terms energy: -25.194737 where: bonds (distance) C4'-P energy: -5.544 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -8.026 flat angles P-C4'-P energy: -3.296 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: 4, replica: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -36.328136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.328136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.328136 (E_RNA) where: Base-Base interactions energy: -9.858 where: short stacking energy: -9.858 Base-Backbone interact. energy: -0.093 local terms energy: -26.376825 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -4.955 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: 5, replica: 7 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -38.253159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.253159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.253159 (E_RNA) where: Base-Base interactions energy: -10.960 where: short stacking energy: -10.321 Base-Backbone interact. energy: -0.002 local terms energy: -27.290790 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -33.045953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.045953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.045953 (E_RNA) where: Base-Base interactions energy: -6.062 where: short stacking energy: -6.062 Base-Backbone interact. energy: -0.168 local terms energy: -26.816325 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -4.162 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: 7, replica: 6 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -34.288653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.288653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.288653 (E_RNA) where: Base-Base interactions energy: -5.050 where: short stacking energy: -5.050 Base-Backbone interact. energy: -0.000 local terms energy: -29.238579 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -5.776 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -36.193802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.193802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.193802 (E_RNA) where: Base-Base interactions energy: -13.331 where: short stacking energy: -13.331 Base-Backbone interact. energy: -0.072 local terms energy: -22.790587 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -2.340 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -41.431332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.431332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.431332 (E_RNA) where: Base-Base interactions energy: -11.219 where: short stacking energy: -11.219 Base-Backbone interact. energy: -0.000 local terms energy: -30.211977 where: bonds (distance) C4'-P energy: -5.328 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -5.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -28.958726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.958726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.958726 (E_RNA) where: Base-Base interactions energy: -6.652 where: short stacking energy: -6.652 Base-Backbone interact. energy: -0.101 local terms energy: -22.205742 where: bonds (distance) C4'-P energy: -6.463 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: 1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -40.654712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.654712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.654712 (E_RNA) where: Base-Base interactions energy: -9.639 where: short stacking energy: -9.639 Base-Backbone interact. energy: 0.461 local terms energy: -31.477211 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -8.693 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -4.671 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: 2, replica: 9 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -41.990657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.990657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.990657 (E_RNA) where: Base-Base interactions energy: -12.371 where: short stacking energy: -12.371 Base-Backbone interact. energy: -0.010 local terms energy: -29.609039 where: bonds (distance) C4'-P energy: -7.440 bonds (distance) P-C4' energy: -7.457 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -5.064 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: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -39.740680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.740680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.740680 (E_RNA) where: Base-Base interactions energy: -13.634 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.000 local terms energy: -26.106619 where: bonds (distance) C4'-P energy: -7.263 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -2.921 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: 4, replica: 8 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -34.659276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.659276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.659276 (E_RNA) where: Base-Base interactions energy: -10.959 where: short stacking energy: -10.959 Base-Backbone interact. energy: -0.101 local terms energy: -23.599038 where: bonds (distance) C4'-P energy: -5.980 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -35.860805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.860805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.860805 (E_RNA) where: Base-Base interactions energy: -11.239 where: short stacking energy: -11.239 Base-Backbone interact. energy: -0.111 local terms energy: -24.510414 where: bonds (distance) C4'-P energy: -5.213 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.719 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: 6, replica: 7 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -33.807165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.807165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.807165 (E_RNA) where: Base-Base interactions energy: -9.474 where: short stacking energy: -9.474 Base-Backbone interact. energy: -0.003 local terms energy: -24.330132 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: 0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -40.907252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.907252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.907252 (E_RNA) where: Base-Base interactions energy: -10.589 where: short stacking energy: -9.046 Base-Backbone interact. energy: -0.212 local terms energy: -30.105928 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -7.893 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -5.047 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: 8, replica: 6 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -33.206689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.206689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.206689 (E_RNA) where: Base-Base interactions energy: -8.292 where: short stacking energy: -8.292 Base-Backbone interact. energy: -0.004 local terms energy: -24.911581 where: bonds (distance) C4'-P energy: -7.192 bonds (distance) P-C4' energy: -7.301 flat angles C4'-P-C4' energy: -2.457 flat angles P-C4'-P energy: -4.337 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: 9, replica: 1 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -29.180116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.180116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.180116 (E_RNA) where: Base-Base interactions energy: -3.708 where: short stacking energy: -3.708 Base-Backbone interact. energy: -0.035 local terms energy: -25.436856 where: bonds (distance) C4'-P energy: -7.300 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -5.197 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: 3 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -33.950468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.950468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.950468 (E_RNA) where: Base-Base interactions energy: -6.247 where: short stacking energy: -6.247 Base-Backbone interact. energy: -0.002 local terms energy: -27.702207 where: bonds (distance) C4'-P energy: -6.335 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -3.539 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: 2 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -42.810164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.810164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.810164 (E_RNA) where: Base-Base interactions energy: -9.869 where: short stacking energy: -9.869 Base-Backbone interact. energy: -0.005 local terms energy: -32.936432 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -8.687 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -6.386 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: 2, replica: 4 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -43.286482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.286482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.286482 (E_RNA) where: Base-Base interactions energy: -12.988 where: short stacking energy: -12.988 Base-Backbone interact. energy: 0.481 local terms energy: -30.779005 where: bonds (distance) C4'-P energy: -6.468 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -4.384 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: 3, replica: 9 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -48.815064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.815064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.815064 (E_RNA) where: Base-Base interactions energy: -16.737 where: short stacking energy: -16.737 Base-Backbone interact. energy: -0.062 local terms energy: -32.016322 where: bonds (distance) C4'-P energy: -7.796 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -38.367466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.367466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.367466 (E_RNA) where: Base-Base interactions energy: -12.105 where: short stacking energy: -12.105 Base-Backbone interact. energy: -0.000 local terms energy: -26.262473 where: bonds (distance) C4'-P energy: -4.436 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -3.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -37.840516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.840516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.840516 (E_RNA) where: Base-Base interactions energy: -12.671 where: short stacking energy: -12.671 Base-Backbone interact. energy: 0.597 local terms energy: -25.767045 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -4.200 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: 6, replica: 10 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -33.941349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.941349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.941349 (E_RNA) where: Base-Base interactions energy: -9.901 where: short stacking energy: -9.901 Base-Backbone interact. energy: -0.006 local terms energy: -24.033857 where: bonds (distance) C4'-P energy: -2.949 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -32.711447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.711447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.711447 (E_RNA) where: Base-Base interactions energy: -4.774 where: short stacking energy: -4.774 Base-Backbone interact. energy: -0.036 local terms energy: -27.901223 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -8.919 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -40.267474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.267474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.267474 (E_RNA) where: Base-Base interactions energy: -9.953 where: short stacking energy: -9.953 Base-Backbone interact. energy: -0.089 local terms energy: -30.226056 where: bonds (distance) C4'-P energy: -7.564 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -3.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -34.628473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.628473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.628473 (E_RNA) where: Base-Base interactions energy: -5.907 where: short stacking energy: -5.907 Base-Backbone interact. energy: -0.000 local terms energy: -28.721523 where: bonds (distance) C4'-P energy: -6.861 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -6.717 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: 3 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -34.174449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.174449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.174449 (E_RNA) where: Base-Base interactions energy: -6.175 where: short stacking energy: -6.175 Base-Backbone interact. energy: -0.008 local terms energy: -27.991974 where: bonds (distance) C4'-P energy: -4.555 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -5.468 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: 1, replica: 4 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -42.563393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.563393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.563393 (E_RNA) where: Base-Base interactions energy: -10.894 where: short stacking energy: -10.894 Base-Backbone interact. energy: -1.502 local terms energy: -30.166954 where: bonds (distance) C4'-P energy: -7.362 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.858 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: 2, replica: 2 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -36.135569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.135569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.135569 (E_RNA) where: Base-Base interactions energy: -11.576 where: short stacking energy: -10.762 Base-Backbone interact. energy: -0.082 local terms energy: -24.477717 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -5.271 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: 3, replica: 5 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -38.431868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.431868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.431868 (E_RNA) where: Base-Base interactions energy: -8.713 where: short stacking energy: -8.713 Base-Backbone interact. energy: -0.003 local terms energy: -29.715878 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -41.489371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.489371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.489371 (E_RNA) where: Base-Base interactions energy: -10.270 where: short stacking energy: -10.270 Base-Backbone interact. energy: -0.002 local terms energy: -31.217156 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -3.997 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: 10 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -41.750609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.750609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.750609 (E_RNA) where: Base-Base interactions energy: -12.166 where: short stacking energy: -12.166 Base-Backbone interact. energy: -0.000 local terms energy: -29.585056 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -6.201 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: 500 Temperature: 1.150000 Total energy: -37.683069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.683069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.683069 (E_RNA) where: Base-Base interactions energy: -8.124 where: short stacking energy: -8.256 Base-Backbone interact. energy: -0.002 local terms energy: -29.556931 where: bonds (distance) C4'-P energy: -5.304 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -4.526 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: 7, replica: 1 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -33.928870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.928870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.928870 (E_RNA) where: Base-Base interactions energy: -9.023 where: short stacking energy: -9.023 Base-Backbone interact. energy: -0.055 local terms energy: -24.851012 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -30.903188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.903188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.903188 (E_RNA) where: Base-Base interactions energy: -7.572 where: short stacking energy: -7.572 Base-Backbone interact. energy: -0.103 local terms energy: -23.228585 where: bonds (distance) C4'-P energy: -6.874 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -3.712 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: 3 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -31.204641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.204641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.204641 (E_RNA) where: Base-Base interactions energy: -7.167 where: short stacking energy: -7.167 Base-Backbone interact. energy: -0.001 local terms energy: -24.036187 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -1.172 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -31.993651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.993651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.993651 (E_RNA) where: Base-Base interactions energy: -7.020 where: short stacking energy: -4.949 Base-Backbone interact. energy: -0.188 local terms energy: -24.784920 where: bonds (distance) C4'-P energy: -5.400 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -3.661 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: 1, replica: 4 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -41.970629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.970629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.970629 (E_RNA) where: Base-Base interactions energy: -13.175 where: short stacking energy: -13.175 Base-Backbone interact. energy: -0.007 local terms energy: -28.788911 where: bonds (distance) C4'-P energy: -6.492 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -42.808316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.808316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.808316 (E_RNA) where: Base-Base interactions energy: -12.847 where: short stacking energy: -12.947 Base-Backbone interact. energy: -0.023 local terms energy: -29.938698 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -5.209 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: 3, replica: 2 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -42.382661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.382661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.382661 (E_RNA) where: Base-Base interactions energy: -15.564 where: short stacking energy: -13.784 Base-Backbone interact. energy: -0.032 local terms energy: -26.786481 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -6.095 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: 4, replica: 10 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -41.399186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.399186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.399186 (E_RNA) where: Base-Base interactions energy: -10.204 where: short stacking energy: -10.204 Base-Backbone interact. energy: -0.000 local terms energy: -31.195513 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -6.306 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: 5, replica: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -34.854921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.854921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.854921 (E_RNA) where: Base-Base interactions energy: -11.191 where: short stacking energy: -11.191 Base-Backbone interact. energy: -0.073 local terms energy: -23.590962 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -2.611 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: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -39.944406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.944406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.944406 (E_RNA) where: Base-Base interactions energy: -12.805 where: short stacking energy: -10.869 Base-Backbone interact. energy: -0.133 local terms energy: -27.006220 where: bonds (distance) C4'-P energy: -7.263 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -32.394492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.394492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.394492 (E_RNA) where: Base-Base interactions energy: -6.602 where: short stacking energy: -6.716 Base-Backbone interact. energy: -1.296 local terms energy: -24.496059 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -6.096 tors. eta vs tors. theta energy: -0.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -33.987812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.987812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.987812 (E_RNA) where: Base-Base interactions energy: -13.618 where: short stacking energy: -12.007 Base-Backbone interact. energy: -0.193 local terms energy: -20.177162 where: bonds (distance) C4'-P energy: -4.061 bonds (distance) P-C4' energy: -4.721 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.856 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: 9, replica: 7 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -36.545525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.545525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.545525 (E_RNA) where: Base-Base interactions energy: -8.765 where: short stacking energy: -8.765 Base-Backbone interact. energy: -0.000 local terms energy: -27.780670 where: bonds (distance) C4'-P energy: -5.462 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -5.036 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: 10, replica: 6 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -36.192695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.192695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.192695 (E_RNA) where: Base-Base interactions energy: -6.381 where: short stacking energy: -6.381 Base-Backbone interact. energy: -0.000 local terms energy: -29.811967 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 11904252 moves confirmed later: 15568633 all moves confirmed: 27472885 percent of confirmed moves: 3.434111 current total energy: -10.550660 recalc. total energy: -10.550660 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 11826796 moves confirmed later: 15457101 all moves confirmed: 27283897 percent of confirmed moves: 3.410487 current total energy: -18.380162 recalc. total energy: -18.380162 replica 10 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 11947446 moves confirmed later: 15632838 all moves confirmed: 27580284 percent of confirmed moves: 3.447535 current total energy: -18.379709 recalc. total energy: -18.379709 replica 2 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 11919515 moves confirmed later: 15599686 all moves confirmed: 27519201 percent of confirmed moves: 3.439900 current total energy: -26.561497 recalc. total energy: -26.561497 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 11961267 moves confirmed later: 15662184 all moves confirmed: 27623451 percent of confirmed moves: 3.452931 current total energy: -17.521689 recalc. total energy: -17.521689 replica 9 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 11894518 moves confirmed later: 15536902 all moves confirmed: 27431420 percent of confirmed moves: 3.428927 current total energy: -7.055236 recalc. total energy: -7.055236 replica 3 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 11863977 moves confirmed later: 15509272 all moves confirmed: 27373249 percent of confirmed moves: 3.421656 current total energy: -21.392838 recalc. total energy: -21.392838 replica 8 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 11890416 moves confirmed later: 15560406 all moves confirmed: 27450822 percent of confirmed moves: 3.431353 current total energy: -6.995872 recalc. total energy: -6.995872 replica 6 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 11931732 moves confirmed later: 15628176 all moves confirmed: 27559908 percent of confirmed moves: 3.444989 current total energy: -5.080831 recalc. total energy: -5.080831 replica 7 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 12002284 moves confirmed later: 15711649 all moves confirmed: 27713933 percent of confirmed moves: 3.464242 current total energy: -1.983435 recalc. total energy: -1.983435 out arg RESULTS//1/1fxl_rna-c67f7a2b_01 Time of doing 8000000 iterations: 403.697 seconds